2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol

C173H246BBr2N17O20S — CID 167567276

IUPAC2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol
SMILESCC(=O)C1CCCC1=O.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CCC[C@H]5C)c4=O)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(C[C@@H]5CCC[C@H]5O)c4=O)n(C)c3c2)ccn1.CC[C@@H]1CCC[C@H]1C.CC[C@@H]1CCC[C@H]1C.CC[C@@H]1CCC[C@H]1O.C[C@@H]1CCCC1Cn1cc(C2CC2)cc(N)c1=O.C[C@@H]1CCCC1Cn1cc(C2CC2)cc(SC#N)c1=O.C[C@@H]1CCC[C@H]1CO.Cc1cc(Br)c[nH]c1=O.Cc1cc(Br)cn(CC2CCC[C@H]2C)c1=O.Cc1cc(C2CC2)cn(CC2CCC[C@H]2C)c1=O.OB(O)C1CC1.OC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C31H35N5O3.C30H33N5O4.C16H20N2OS.C16H23NO.C15H22N2O.C13H18BrNO.2C8H16.C7H10O2.2C7H14O.C6H6BrNO.C6H12O2.C3H7BO2/c1-19-5-4-6-22(19)17-36-18-23(21-7-8-21)14-28(30(36)38)34-31-33-27-10-9-25(16-29(27)35(31)3)39-26-11-12-32-24(15-26)13-20(2)37;1-18(36)12-22-14-24(10-11-31-22)39-23-8-9-25-27(15-23)34(2)30(32-25)33-26-13-21(19-6-7-19)17-35(29(26)38)16-20-4-3-5-28(20)37;1-11-3-2-4-13(11)8-18-9-14(12-5-6-12)7-15(16(18)19)20-10-17;1-11-4-3-5-14(11)9-17-10-15(13-6-7-13)8-12(2)16(17)18;1-10-3-2-4-12(10)8-17-9-13(11-5-6-11)7-14(16)15(17)18;1-9-4-3-5-11(9)7-15-8-12(14)6-10(2)13(15)16;2*1-3-8-6-4-5-7(8)2;1-5(8)6-3-2-4-7(6)9;1-6-3-2-4-7(6)5-8;1-2-6-4-3-5-7(6)8;1-4-2-5(7)3-8-6(4)9;7-4-5-2-1-3-6(5)8;5-4(6)3-1-2-3/h9-12,14-16,18-19,21-22H,4-8,13,17H2,1-3H3,(H,33,34);8-11,13-15,17,19-20,28,37H,3-7,12,16H2,1-2H3,(H,32,33);7,9,11-13H,2-6,8H2,1H3;8,10-11,13-14H,3-7,9H2,1-2H3;7,9-12H,2-6,8,16H2,1H3;6,8-9,11H,3-5,7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,2-4H2,1H3;2*6-8H,2-5H2,1H3;2-3H,1H3,(H,8,9);5-8H,1-4H2;3,5-6H,1-2H2/t19-,22?;20-,28+;11-,13?;11-,14?;10-,12?;9-,11?;2*7-,8-;;6-,7+;6-,7-;;5-,6+;/m10111111.11.0./s1
InChIKeyFLHDNWOKGKQTOM-SLGQXZNNSA-N
MW3086.66 g/mol
LogP35.04
Rot. Bonds37

About 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol

2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol (PubChem CID 167567276) has the molecular formula C173H246BBr2N17O20S and a molecular weight of 3086.66 g/mol. Its IUPAC name is 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol.

Molecular Properties

Compound Name2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol
PubChem CID167567276
Molecular FormulaC173H246BBr2N17O20S
Molecular Weight3086.66 g/mol
Exact Mass3082.69
IUPAC Name2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol
SMILESCC(=O)C1CCCC1=O.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CCC[C@H]5C)c4=O)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(C[C@@H]5CCC[C@H]5O)c4=O)n(C)c3c2)ccn1.CC[C@@H]1CCC[C@H]1C.CC[C@@H]1CCC[C@H]1C.CC[C@@H]1CCC[C@H]1O.C[C@@H]1CCCC1Cn1cc(C2CC2)cc(N)c1=O.C[C@@H]1CCCC1Cn1cc(C2CC2)cc(SC#N)c1=O.C[C@@H]1CCC[C@H]1CO.Cc1cc(Br)c[nH]c1=O.Cc1cc(Br)cn(CC2CCC[C@H]2C)c1=O.Cc1cc(C2CC2)cn(CC2CCC[C@H]2C)c1=O.OB(O)C1CC1.OC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C31H35N5O3.C30H33N5O4.C16H20N2OS.C16H23NO.C15H22N2O.C13H18BrNO.2C8H16.C7H10O2.2C7H14O.C6H6BrNO.C6H12O2.C3H7BO2/c1-19-5-4-6-22(19)17-36-18-23(21-7-8-21)14-28(30(36)38)34-31-33-27-10-9-25(16-29(27)35(31)3)39-26-11-12-32-24(15-26)13-20(2)37;1-18(36)12-22-14-24(10-11-31-22)39-23-8-9-25-27(15-23)34(2)30(32-25)33-26-13-21(19-6-7-19)17-35(29(26)38)16-20-4-3-5-28(20)37;1-11-3-2-4-13(11)8-18-9-14(12-5-6-12)7-15(16(18)19)20-10-17;1-11-4-3-5-14(11)9-17-10-15(13-6-7-13)8-12(2)16(17)18;1-10-3-2-4-12(10)8-17-9-13(11-5-6-11)7-14(16)15(17)18;1-9-4-3-5-11(9)7-15-8-12(14)6-10(2)13(15)16;2*1-3-8-6-4-5-7(8)2;1-5(8)6-3-2-4-7(6)9;1-6-3-2-4-7(6)5-8;1-2-6-4-3-5-7(6)8;1-4-2-5(7)3-8-6(4)9;7-4-5-2-1-3-6(5)8;5-4(6)3-1-2-3/h9-12,14-16,18-19,21-22H,4-8,13,17H2,1-3H3,(H,33,34);8-11,13-15,17,19-20,28,37H,3-7,12,16H2,1-2H3,(H,32,33);7,9,11-13H,2-6,8H2,1H3;8,10-11,13-14H,3-7,9H2,1-2H3;7,9-12H,2-6,8,16H2,1H3;6,8-9,11H,3-5,7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,2-4H2,1H3;2*6-8H,2-5H2,1H3;2-3H,1H3,(H,8,9);5-8H,1-4H2;3,5-6H,1-2H2/t19-,22?;20-,28+;11-,13?;11-,14?;10-,12?;9-,11?;2*7-,8-;;6-,7+;6-,7-;;5-,6+;/m10111111.11.0./s1
InChIKeyFLHDNWOKGKQTOM-SLGQXZNNSA-N
XLogP35.04
TPSA528.50 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.66
LogP ≤ 535.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
CID 167558794
1-[4-[[5-amino-6-(methylamino)-2-pyridinyl]oxy]-2-pyridinyl]propan-2-one;5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one;[5-cyclopropyl-1-(oxan-3-yl)-2-oxo-3-pyridinyl] thiocyanate;methane
CID 167694272
N-[4-[2-[[5-cyclopropyl-2-oxo-1-[(2-phenylmethoxycyclopentyl)methyl]-3-pyridinyl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 157042156
3-[[6-[(2-amino-4-pyridinyl)oxy]-1-methylbenzimidazol-2-yl]amino]-5-cyclopropyl-1-(oxolan-3-ylmethyl)pyridin-2-one
CID 157042249
1-(1,4-dioxan-2-ylmethyl)-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)pyridin-2-one
CID 167541040
5-cyclopropyl-3-[[3-methyl-5-[[2-(2-oxopropyl)-4-pyridinyl]oxy]imidazo[4,5-b]pyridin-2-yl]amino]-1-(oxan-3-yl)pyridin-2-one
CID 167570552
1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167545220
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167577306
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271

Frequently Asked Questions

What is the IUPAC name of 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol?
The IUPAC name of 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol (CID 167567276) is 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol.
What is the SMILES notation for 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol?
The canonical SMILES for 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol is CC(=O)C1CCCC1=O.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(CC5CCC[C@H]5C)c4=O)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2ccc3nc(Nc4cc(C5CC5)cn(C[C@@H]5CCC[C@H]5O)c4=O)n(C)c3c2)ccn1.CC[C@@H]1CCC[C@H]1C.CC[C@@H]1CCC[C@H]1C.CC[C@@H]1CCC[C@H]1O.C[C@@H]1CCCC1Cn1cc(C2CC2)cc(N)c1=O.C[C@@H]1CCCC1Cn1cc(C2CC2)cc(SC#N)c1=O.C[C@@H]1CCC[C@H]1CO.Cc1cc(Br)c[nH]c1=O.Cc1cc(Br)cn(CC2CCC[C@H]2C)c1=O.Cc1cc(C2CC2)cn(CC2CCC[C@H]2C)c1=O.OB(O)C1CC1.OC[C@@H]1CCC[C@H]1O.
What is the InChIKey of 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol?
The InChIKey is FLHDNWOKGKQTOM-SLGQXZNNSA-N. The full InChI is InChI=1S/C31H35N5O3.C30H33N5O4.C16H20N2OS.C16H23NO.C15H22N2O.C13H18BrNO.2C8H16.C7H10O2.2C7H14O.C6H6BrNO.C6H12O2.C3H7BO2/c1-19-5-4-6-22(19)17-36-18-23(21-7-8-21)14-28(30(36)38)34-31-33-27-10-9-25(16-29(27)35(31)3)39-26-11-12-32-24(15-26)13-20(2)37;1-18(36)12-22-14-24(10-11-31-22)39-23-8-9-25-27(15-23)34(2)30(32-25)33-26-13-21(19-6-7-19)17-35(29(26)38)16-20-4-3-5-28(20)37;1-11-3-2-4-13(11)8-18-9-14(12-5-6-12)7-15(16(18)19)20-10-17;1-11-4-3-5-14(11)9-17-10-15(13-6-7-13)8-12(2)16(17)18;1-10-3-2-4-12(10)8-17-9-13(11-5-6-11)7-14(16)15(17)18;1-9-4-3-5-11(9)7-15-8-12(14)6-10(2)13(15)16;2*1-3-8-6-4-5-7(8)2;1-5(8)6-3-2-4-7(6)9;1-6-3-2-4-7(6)5-8;1-2-6-4-3-5-7(6)8;1-4-2-5(7)3-8-6(4)9;7-4-5-2-1-3-6(5)8;5-4(6)3-1-2-3/h9-12,14-16,18-19,21-22H,4-8,13,17H2,1-3H3,(H,33,34);8-11,13-15,17,19-20,28,37H,3-7,12,16H2,1-2H3,(H,32,33);7,9,11-13H,2-6,8H2,1H3;8,10-11,13-14H,3-7,9H2,1-2H3;7,9-12H,2-6,8,16H2,1H3;6,8-9,11H,3-5,7H2,1-2H3;2*7-8H,3-6H2,1-2H3;6H,2-4H2,1H3;2*6-8H,2-5H2,1H3;2-3H,1H3,(H,8,9);5-8H,1-4H2;3,5-6H,1-2H2/t19-,22?;20-,28+;11-,13?;11-,14?;10-,12?;9-,11?;2*7-,8-;;6-,7+;6-,7-;;5-,6+;/m10111111.11.0./s1.
What are the key properties of 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol?
2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol has a molecular weight of 3086.66 g/mol, XLogP of 35.04, 37 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylcyclopentan-1-one;3-amino-5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;5-bromo-3-methyl-1H-pyridin-2-one;cis-(1R,2R)-2-ethylcyclopentan-1-ol;bis(cis-(1R,2R)-1-ethyl-2-methylcyclopentane);cis-(1R,2S)-2-(hydroxymethyl)cyclopentan-1-ol;cyclopropylboronic acid;5-cyclopropyl-1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one;[5-cyclopropyl-1-[[(2R)-2-methylcyclopentyl]methyl]-2-oxo-3-pyridinyl] thiocyanate;5-cyclopropyl-3-methyl-1-[[(2R)-2-methylcyclopentyl]methyl]pyridin-2-one;[(1R,2R)-2-methylcyclopentyl]methanol is sourced from PubChem (CID 167567276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).