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

C36H43FN6O3 — CID 156828870

IUPAC[3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone
SMILESCc1c(-c2cc3cccc(C4CN(C(=O)[C@@H]5CCC[C@H](O)C5)C4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C36H43FN6O3/c1-21-31-11-10-25(36(46)41-19-27(37)14-28(38)20-41)18-43(31)39-33(21)32-13-23-4-3-7-30(34(23)42(32)15-22-8-9-22)26-16-40(17-26)35(45)24-5-2-6-29(44)12-24/h3-4,7,10-11,13,18,22,24,26-29,44H,2,5-6,8-9,12,14-17,19-20,38H2,1H3/t24-,27-,28-,29+/m1/s1
InChIKeyYPPQRURPQMXKTK-XDOPXQJJSA-N
MW626.78 g/mol
LogP4.66
Rot. Bonds6

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

[3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone (PubChem CID 156828870) has the molecular formula C36H43FN6O3 and a molecular weight of 626.78 g/mol. Its IUPAC name is [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone.

Molecular Properties

Compound Name[3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone
PubChem CID156828870
Molecular FormulaC36H43FN6O3
Molecular Weight626.78 g/mol
Exact Mass626.34
IUPAC Name[3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone
SMILESCc1c(-c2cc3cccc(C4CN(C(=O)[C@@H]5CCC[C@H](O)C5)C4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C36H43FN6O3/c1-21-31-11-10-25(36(46)41-19-27(37)14-28(38)20-41)18-43(31)39-33(21)32-13-23-4-3-7-30(34(23)42(32)15-22-8-9-22)26-16-40(17-26)35(45)24-5-2-6-29(44)12-24/h3-4,7,10-11,13,18,22,24,26-29,44H,2,5-6,8-9,12,14-17,19-20,38H2,1H3/t24-,27-,28-,29+/m1/s1
InChIKeyYPPQRURPQMXKTK-XDOPXQJJSA-N
XLogP4.66
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.78
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-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
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
N-[(3S,4S)-4-hydroxyoxan-3-yl]-1-[(1-methylindazol-5-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 122186858
N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(4-pyridin-4-ylpyrazol-1-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 127038318

Frequently Asked Questions

What is the IUPAC name of [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
The IUPAC name of [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone (CID 156828870) is [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone.
What is the SMILES notation for [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
The canonical SMILES for [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone is Cc1c(-c2cc3cccc(C4CN(C(=O)[C@@H]5CCC[C@H](O)C5)C4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
The InChIKey is YPPQRURPQMXKTK-XDOPXQJJSA-N. The full InChI is InChI=1S/C36H43FN6O3/c1-21-31-11-10-25(36(46)41-19-27(37)14-28(38)20-41)18-43(31)39-33(21)32-13-23-4-3-7-30(34(23)42(32)15-22-8-9-22)26-16-40(17-26)35(45)24-5-2-6-29(44)12-24/h3-4,7,10-11,13,18,22,24,26-29,44H,2,5-6,8-9,12,14-17,19-20,38H2,1H3/t24-,27-,28-,29+/m1/s1.
What are the key properties of [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone?
[3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone has a molecular weight of 626.78 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]-[(1R,3S)-3-hydroxycyclohexyl]methanone is sourced from PubChem (CID 156828870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).