[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone

C38H47FN6O3 — CID 156828979

IUPAC[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone
SMILESCc1c(-c2cc3cccc(C4CCN(C(=O)[C@@H]5CCC[C@H](O)C5)CC4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C38H47FN6O3/c1-23-33-11-10-28(38(48)43-21-29(39)18-30(40)22-43)20-45(33)41-35(23)34-17-26-4-3-7-32(36(26)44(34)19-24-8-9-24)25-12-14-42(15-13-25)37(47)27-5-2-6-31(46)16-27/h3-4,7,10-11,17,20,24-25,27,29-31,46H,2,5-6,8-9,12-16,18-19,21-22,40H2,1H3/t27-,29-,30-,31+/m1/s1
InChIKeyVRHGRZFQXLMFNI-RJIGRWNCSA-N
MW654.83 g/mol
LogP5.44
Rot. Bonds6

About [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone

[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone (PubChem CID 156828979) has the molecular formula C38H47FN6O3 and a molecular weight of 654.83 g/mol. Its IUPAC name is [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone.

Molecular Properties

Compound Name[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone
PubChem CID156828979
Molecular FormulaC38H47FN6O3
Molecular Weight654.83 g/mol
Exact Mass654.37
IUPAC Name[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone
SMILESCc1c(-c2cc3cccc(C4CCN(C(=O)[C@@H]5CCC[C@H](O)C5)CC4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C38H47FN6O3/c1-23-33-11-10-28(38(48)43-21-29(39)18-30(40)22-43)20-45(33)41-35(23)34-17-26-4-3-7-32(36(26)44(34)19-24-8-9-24)25-12-14-42(15-13-25)37(47)27-5-2-6-31(46)16-27/h3-4,7,10-11,17,20,24-25,27,29-31,46H,2,5-6,8-9,12-16,18-19,21-22,40H2,1H3/t27-,29-,30-,31+/m1/s1
InChIKeyVRHGRZFQXLMFNI-RJIGRWNCSA-N
XLogP5.44
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.83
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone with MolForge

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Related Compounds

N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735390
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[4,3-c]pyridin-1-yl)benzamide
CID 49871894
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-c]pyridin-1-yl)benzamide
CID 67502777
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 117937642
4,6-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indole-3-carboxamide
CID 134817226
4,6-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 145982741
N-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735389
N-[(S)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735391
N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735392
3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-1H-indazole-5-carboxamide
CID 118735395
3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-N-[(1R)-3-methyl-1-pyridin-2-ylbutyl]-1H-indazole-5-carboxamide
CID 118735396
N-[(1R)-2-cyclopropyl-1-pyridin-2-ylethyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735397

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
The IUPAC name of [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone (CID 156828979) is [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone.
What is the SMILES notation for [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
The canonical SMILES for [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone is Cc1c(-c2cc3cccc(C4CCN(C(=O)[C@@H]5CCC[C@H](O)C5)CC4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
The InChIKey is VRHGRZFQXLMFNI-RJIGRWNCSA-N. The full InChI is InChI=1S/C38H47FN6O3/c1-23-33-11-10-28(38(48)43-21-29(39)18-30(40)22-43)20-45(33)41-35(23)34-17-26-4-3-7-32(36(26)44(34)19-24-8-9-24)25-12-14-42(15-13-25)37(47)27-5-2-6-31(46)16-27/h3-4,7,10-11,17,20,24-25,27,29-31,46H,2,5-6,8-9,12-16,18-19,21-22,40H2,1H3/t27-,29-,30-,31+/m1/s1.
What are the key properties of [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone has a molecular weight of 654.83 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone is sourced from PubChem (CID 156828979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).