2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol

C92H137N15O7 — CID 162181613

IUPAC2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol
SMILESCC(C)Cc1cc(-c2ccccc2)nc(NCCO)n1.CC(C)Cc1cc(N2CCC(O)C2)nc(N2CCC(O)C2)c1.CC(C)Cc1cc(N2CCOCC2)nc(N2CCOCC2)c1.COC1CCC(c2cc(CC(C)C)cc(C3CCC(OC)CC3)n2)CC1.Cc1n[nH]c(C)c1-c1cc(CC(C)C)cc(-c2c(C)n[nH]c2C)n1
InChIInChI=1S/C23H37NO2.C19H25N5.2C17H27N3O2.C16H21N3O/c1-16(2)13-17-14-22(18-5-9-20(25-3)10-6-18)24-23(15-17)19-7-11-21(26-4)12-8-19;1-10(2)7-15-8-16(18-11(3)21-22-12(18)4)20-17(9-15)19-13(5)23-24-14(19)6;1-14(2)11-15-12-16(19-3-7-21-8-4-19)18-17(13-15)20-5-9-22-10-6-20;1-12(2)7-13-8-16(19-5-3-14(21)10-19)18-17(9-13)20-6-4-15(22)11-20;1-12(2)10-14-11-15(13-6-4-3-5-7-13)19-16(18-14)17-8-9-20/h14-16,18-21H,5-13H2,1-4H3;8-10H,7H2,1-6H3,(H,21,22)(H,23,24);12-14H,3-11H2,1-2H3;8-9,12,14-15,21-22H,3-7,10-11H2,1-2H3;3-7,11-12,20H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyZPCGYZGIFHFDOX-UHFFFAOYSA-N
MW1565.21 g/mol
LogP16.04
Rot. Bonds24

About 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol

2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol (PubChem CID 162181613) has the molecular formula C92H137N15O7 and a molecular weight of 1565.21 g/mol. Its IUPAC name is 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol
PubChem CID162181613
Molecular FormulaC92H137N15O7
Molecular Weight1565.21 g/mol
Exact Mass1564.08
IUPAC Name2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol
SMILESCC(C)Cc1cc(-c2ccccc2)nc(NCCO)n1.CC(C)Cc1cc(N2CCC(O)C2)nc(N2CCC(O)C2)c1.CC(C)Cc1cc(N2CCOCC2)nc(N2CCOCC2)c1.COC1CCC(c2cc(CC(C)C)cc(C3CCC(OC)CC3)n2)CC1.Cc1n[nH]c(C)c1-c1cc(CC(C)C)cc(-c2c(C)n[nH]c2C)n1
InChIInChI=1S/C23H37NO2.C19H25N5.2C17H27N3O2.C16H21N3O/c1-16(2)13-17-14-22(18-5-9-20(25-3)10-6-18)24-23(15-17)19-7-11-21(26-4)12-8-19;1-10(2)7-15-8-16(18-11(3)21-22-12(18)4)20-17(9-15)19-13(5)23-24-14(19)6;1-14(2)11-15-12-16(19-3-7-21-8-4-19)18-17(13-15)20-5-9-22-10-6-20;1-12(2)7-13-8-16(19-5-3-14(21)10-19)18-17(9-13)20-6-4-15(22)11-20;1-12(2)10-14-11-15(13-6-4-3-5-7-13)19-16(18-14)17-8-9-20/h14-16,18-21H,5-13H2,1-4H3;8-10H,7H2,1-6H3,(H,21,22)(H,23,24);12-14H,3-11H2,1-2H3;8-9,12,14-15,21-22H,3-7,10-11H2,1-2H3;3-7,11-12,20H,8-10H2,1-2H3,(H,17,18,19)
InChIKeyZPCGYZGIFHFDOX-UHFFFAOYSA-N
XLogP16.04
TPSA257.30 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001565.21
LogP ≤ 516.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

3-imino-N'-[2-[(E)-2-[3-[1-[[1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]ethenyl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]butanimidamide
CID 91117431
3-[6-[(3R)-3-(ethoxymethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-4-fluoro-2-(2-methylpropyl)piperidin-4-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3S,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol;(3R,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-ol;molecular hydrogen
CID 157257820
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(2-methyl-4-pyridinyl)-2-[[(2S)-1-propan-2-yloxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 159243217
1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,4-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol;1-[4-amino-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]-5-(4-fluorophenyl)pyrrolidin-3-ol;6-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-2-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 159401143
6-N-[2-(dimethylamino)ethyl]-2-[(E)-2-(4-methylphenyl)ethenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-2-[(E)-2-(4-methylphenyl)ethenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;2-[(E)-2-(4-methylphenyl)ethenyl]-6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;N-[2-[(E)-2-(4-methylphenyl)ethenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-3-morpholin-4-ylpropanamide;1-[2-[(E)-2-(4-methylphenyl)ethenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-4-ol;2-[(E)-2-(4-methylphenyl)ethenyl]-6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 160070866
5-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-7-(4-methylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 160370267
5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 160750209
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-2-(4-fluorophenyl)ethanol;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(4-fluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-(2-methoxy-1-phenylethyl)pyrimidine-4,6-diamine
CID 160904054
[4-[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol;[(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-fluoro-4-methylanilino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 161149384

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol (CID 162181613) is 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol is CC(C)Cc1cc(-c2ccccc2)nc(NCCO)n1.CC(C)Cc1cc(N2CCC(O)C2)nc(N2CCC(O)C2)c1.CC(C)Cc1cc(N2CCOCC2)nc(N2CCOCC2)c1.COC1CCC(c2cc(CC(C)C)cc(C3CCC(OC)CC3)n2)CC1.Cc1n[nH]c(C)c1-c1cc(CC(C)C)cc(-c2c(C)n[nH]c2C)n1.
What is the InChIKey of 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol?
The InChIKey is ZPCGYZGIFHFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2.C19H25N5.2C17H27N3O2.C16H21N3O/c1-16(2)13-17-14-22(18-5-9-20(25-3)10-6-18)24-23(15-17)19-7-11-21(26-4)12-8-19;1-10(2)7-15-8-16(18-11(3)21-22-12(18)4)20-17(9-15)19-13(5)23-24-14(19)6;1-14(2)11-15-12-16(19-3-7-21-8-4-19)18-17(13-15)20-5-9-22-10-6-20;1-12(2)7-13-8-16(19-5-3-14(21)10-19)18-17(9-13)20-6-4-15(22)11-20;1-12(2)10-14-11-15(13-6-4-3-5-7-13)19-16(18-14)17-8-9-20/h14-16,18-21H,5-13H2,1-4H3;8-10H,7H2,1-6H3,(H,21,22)(H,23,24);12-14H,3-11H2,1-2H3;8-9,12,14-15,21-22H,3-7,10-11H2,1-2H3;3-7,11-12,20H,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol?
2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol has a molecular weight of 1565.21 g/mol, XLogP of 16.04, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-dimethyl-1H-pyrazol-4-yl)-4-(2-methylpropyl)pyridine;2,6-bis(4-methoxycyclohexyl)-4-(2-methylpropyl)pyridine;1-[6-(3-hydroxypyrrolidin-1-yl)-4-(2-methylpropyl)-2-pyridinyl]pyrrolidin-3-ol;4-[4-(2-methylpropyl)-6-morpholin-4-yl-2-pyridinyl]morpholine;2-[[4-(2-methylpropyl)-6-phenylpyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 162181613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).