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

C35H33F2N7O2 — CID 156828998

IUPAC6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
SMILESCc1c(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3n2)cc(F)c2[nH]c(=O)ccc12
InChIInChI=1S/C35H33F2N7O2/c1-18-25-7-10-31(45)40-33(25)27(37)13-26(18)28-8-5-21-11-30(43(34(21)39-28)14-20-3-4-20)32-19(2)29-9-6-22(15-44(29)41-32)35(46)42-16-23(36)12-24(38)17-42/h5-11,13,15,20,23-24H,3-4,12,14,16-17,38H2,1-2H3,(H,40,45)/t23-,24-/m1/s1
InChIKeyHUZDRWMPSVXREC-DNQXCXABSA-N
MW621.69 g/mol
LogP5.54
Rot. Bonds5

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

6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (PubChem CID 156828998) has the molecular formula C35H33F2N7O2 and a molecular weight of 621.69 g/mol. Its IUPAC name is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
PubChem CID156828998
Molecular FormulaC35H33F2N7O2
Molecular Weight621.69 g/mol
Exact Mass621.27
IUPAC Name6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
SMILESCc1c(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3n2)cc(F)c2[nH]c(=O)ccc12
InChIInChI=1S/C35H33F2N7O2/c1-18-25-7-10-31(45)40-33(25)27(37)13-26(18)28-8-5-21-11-30(43(34(21)39-28)14-20-3-4-20)32-19(2)29-9-6-22(15-44(29)41-32)35(46)42-16-23(36)12-24(38)17-42/h5-11,13,15,20,23-24H,3-4,12,14,16-17,38H2,1-2H3,(H,40,45)/t23-,24-/m1/s1
InChIKeyHUZDRWMPSVXREC-DNQXCXABSA-N
XLogP5.54
TPSA114.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.69
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-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,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (CID 156828998) is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one is Cc1c(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3n2)cc(F)c2[nH]c(=O)ccc12.
What is the InChIKey of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The InChIKey is HUZDRWMPSVXREC-DNQXCXABSA-N. The full InChI is InChI=1S/C35H33F2N7O2/c1-18-25-7-10-31(45)40-33(25)27(37)13-26(18)28-8-5-21-11-30(43(34(21)39-28)14-20-3-4-20)32-19(2)29-9-6-22(15-44(29)41-32)35(46)42-16-23(36)12-24(38)17-42/h5-11,13,15,20,23-24H,3-4,12,14,16-17,38H2,1-2H3,(H,40,45)/t23-,24-/m1/s1.
What are the key properties of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one has a molecular weight of 621.69 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one is sourced from PubChem (CID 156828998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).