6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one

C36H35FN6O2 — CID 156829379

IUPAC6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
SMILESCc1c(-c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c3c2)cc(F)c2[nH]c(=O)ccc12
InChIInChI=1S/C36H35FN6O2/c1-20-27-10-12-33(44)39-35(27)29(37)16-28(20)23-7-8-24-15-32(42(31(24)14-23)17-22-5-6-22)34-21(2)30-11-9-25(18-43(30)40-34)36(45)41-13-3-4-26(38)19-41/h7-12,14-16,18,22,26H,3-6,13,17,19,38H2,1-2H3,(H,39,44)/t26-/m1/s1
InChIKeyMNFVYTACDFWFHT-AREMUKBSSA-N
MW602.71 g/mol
LogP6.19
Rot. Bonds5

About 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one

6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (PubChem CID 156829379) has the molecular formula C36H35FN6O2 and a molecular weight of 602.71 g/mol. Its IUPAC name is 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
PubChem CID156829379
Molecular FormulaC36H35FN6O2
Molecular Weight602.71 g/mol
Exact Mass602.28
IUPAC Name6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
SMILESCc1c(-c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c3c2)cc(F)c2[nH]c(=O)ccc12
InChIInChI=1S/C36H35FN6O2/c1-20-27-10-12-33(44)39-35(27)29(37)16-28(20)23-7-8-24-15-32(42(31(24)14-23)17-22-5-6-22)34-21(2)30-11-9-25(18-43(30)40-34)36(45)41-13-3-4-26(38)19-41/h7-12,14-16,18,22,26H,3-6,13,17,19,38H2,1-2H3,(H,39,44)/t26-/m1/s1
InChIKeyMNFVYTACDFWFHT-AREMUKBSSA-N
XLogP6.19
TPSA101.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.71
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (CID 156829379) is 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one is Cc1c(-c2ccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c3c2)cc(F)c2[nH]c(=O)ccc12.
What is the InChIKey of 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The InChIKey is MNFVYTACDFWFHT-AREMUKBSSA-N. The full InChI is InChI=1S/C36H35FN6O2/c1-20-27-10-12-33(44)39-35(27)29(37)16-28(20)23-7-8-24-15-32(42(31(24)14-23)17-22-5-6-22)34-21(2)30-11-9-25(18-43(30)40-34)36(45)41-13-3-4-26(38)19-41/h7-12,14-16,18,22,26H,3-6,13,17,19,38H2,1-2H3,(H,39,44)/t26-/m1/s1.
What are the key properties of 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one has a molecular weight of 602.71 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one is sourced from PubChem (CID 156829379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).