1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C104H111F2N17O8 — CID 157407096

IUPAC1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESC=C1CN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)CCN1.CC(C)CNCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.C[C@@H]1CC[C@@H](C)N1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C27H30N4O2.C26H26F2N4O2.C26H27N5O2.C25H28N4O2/c1-20-8-9-21(2)29(20)14-15-31-26-11-10-24(16-23(26)18-28-31)30-13-12-25(17-27(30)32)33-19-22-6-4-3-5-7-22;27-26(28)9-12-30(13-10-26)14-15-32-24-7-6-22(16-21(24)18-29-32)31-11-8-23(17-25(31)33)34-19-20-4-2-1-3-5-20;1-20-18-29(12-10-27-20)13-14-31-25-8-7-23(15-22(25)17-28-31)30-11-9-24(16-26(30)32)33-19-21-5-3-2-4-6-21;1-19(2)16-26-11-13-29-24-9-8-22(14-21(24)17-27-29)28-12-10-23(15-25(28)30)31-18-20-6-4-3-5-7-20/h3-7,10-13,16-18,20-21H,8-9,14-15,19H2,1-2H3;1-8,11,16-18H,9-10,12-15,19H2;2-9,11,15-17,27H,1,10,12-14,18-19H2;3-10,12,14-15,17,19,26H,11,13,16,18H2,1-2H3/t20-,21-;;;/m1.../s1
InChIKeyBNVOWCGUMTXTSO-AGEKDOICSA-N
MW1765.14 g/mol
LogP16.33
Rot. Bonds30

About 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 157407096) has the molecular formula C104H111F2N17O8 and a molecular weight of 1765.14 g/mol. Its IUPAC name is 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID157407096
Molecular FormulaC104H111F2N17O8
Molecular Weight1765.14 g/mol
Exact Mass1763.88
IUPAC Name1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESC=C1CN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)CCN1.CC(C)CNCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.C[C@@H]1CC[C@@H](C)N1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)CC2)c1
InChIInChI=1S/C27H30N4O2.C26H26F2N4O2.C26H27N5O2.C25H28N4O2/c1-20-8-9-21(2)29(20)14-15-31-26-11-10-24(16-23(26)18-28-31)30-13-12-25(17-27(30)32)33-19-22-6-4-3-5-7-22;27-26(28)9-12-30(13-10-26)14-15-32-24-7-6-22(16-21(24)18-29-32)31-11-8-23(17-25(31)33)34-19-20-4-2-1-3-5-20;1-20-18-29(12-10-27-20)13-14-31-25-8-7-23(15-22(25)17-28-31)30-11-9-24(16-26(30)32)33-19-21-5-3-2-4-6-21;1-19(2)16-26-11-13-29-24-9-8-22(14-21(24)17-27-29)28-12-10-23(15-25(28)30)31-18-20-6-4-3-5-7-20/h3-7,10-13,16-18,20-21H,8-9,14-15,19H2,1-2H3;1-8,11,16-18H,9-10,12-15,19H2;2-9,11,15-17,27H,1,10,12-14,18-19H2;3-10,12,14-15,17,19,26H,11,13,16,18H2,1-2H3/t20-,21-;;;/m1.../s1
InChIKeyBNVOWCGUMTXTSO-AGEKDOICSA-N
XLogP16.33
TPSA229.98 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001765.14
LogP ≤ 516.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one with MolForge

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Related Compounds

(S)-4-(benzyloxy)-1-(1-(pyrrolidin-2-ylmethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25054804
4-(1-Adamantylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(cyclopentylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
CID 157829812
(4S)-4-amino-5-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;benzyl N-[(3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]carbamate;N-[(3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;tritritiophosphane
CID 158038739
1-[3-Methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
CID 158625769
1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(4-methylpiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 160093572
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-yl)-4-phenylmethoxypyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;methane;1-(9-methyl-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl)-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 160601157
(4S,5R)-4-amino-5-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;benzyl N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]carbamate;N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;tritritiophosphane
CID 164979862
4-phenylmethoxy-1-[1-[[(2R)-pyrrolidin-2-yl]methyl]indazol-5-yl]pyridin-2-one
CID 25057910
4-Phenylmethoxy-1-[1-(pyrrolidin-2-ylmethyl)indazol-5-yl]pyridin-2-one
CID 68250831
1-[1-[[(4R)-4-methylpyrrolidin-2-yl]methyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 68250832
(R)-4-(Benzyloxy)-1-(1-(pyrrolidin-2-ylmethyl)-1H-indazol-5-yl)pyridin-2(1H)-one hydrochloride
CID 68458454
4-Phenylmethoxy-1-[1-(pyrrolidin-2-ylmethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 68458455

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 157407096) is 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is C=C1CN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)CCN1.CC(C)CNCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.C[C@@H]1CC[C@@H](C)N1CCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is BNVOWCGUMTXTSO-AGEKDOICSA-N. The full InChI is InChI=1S/C27H30N4O2.C26H26F2N4O2.C26H27N5O2.C25H28N4O2/c1-20-8-9-21(2)29(20)14-15-31-26-11-10-24(16-23(26)18-28-31)30-13-12-25(17-27(30)32)33-19-22-6-4-3-5-7-22;27-26(28)9-12-30(13-10-26)14-15-32-24-7-6-22(16-21(24)18-29-32)31-11-8-23(17-25(31)33)34-19-20-4-2-1-3-5-20;1-20-18-29(12-10-27-20)13-14-31-25-8-7-23(15-22(25)17-28-31)30-11-9-24(16-26(30)32)33-19-21-5-3-2-4-6-21;1-19(2)16-26-11-13-29-24-9-8-22(14-21(24)17-27-29)28-12-10-23(15-25(28)30)31-18-20-6-4-3-5-7-20/h3-7,10-13,16-18,20-21H,8-9,14-15,19H2,1-2H3;1-8,11,16-18H,9-10,12-15,19H2;2-9,11,15-17,27H,1,10,12-14,18-19H2;3-10,12,14-15,17,19,26H,11,13,16,18H2,1-2H3/t20-,21-;;;/m1.../s1.
What are the key properties of 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 1765.14 g/mol, XLogP of 16.33, 30 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(3-methylidenepiperazin-1-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-(2-methylpropylamino)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 157407096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).