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

C36H34F2N6O2 — CID 156829763

IUPAC6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3c2)cc(F)c2[nH]c(=O)ccc12
InChIInChI=1S/C36H34F2N6O2/c1-19-27-8-10-33(45)40-35(27)29(38)14-28(19)22-5-6-23-12-32(43(31(23)11-22)15-21-3-4-21)34-20(2)30-9-7-24(16-44(30)41-34)36(46)42-17-25(37)13-26(39)18-42/h5-12,14,16,21,25-26H,3-4,13,15,17-18,39H2,1-2H3,(H,40,45)/t25-,26-/m1/s1
InChIKeyUXUJLJVEONEPJM-CLJLJLNGSA-N
MW620.70 g/mol
LogP6.14
Rot. Bonds5

About 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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 156829763) has the molecular formula C36H34F2N6O2 and a molecular weight of 620.70 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)indol-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)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
PubChem CID156829763
Molecular FormulaC36H34F2N6O2
Molecular Weight620.70 g/mol
Exact Mass620.27
IUPAC Name6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3c2)cc(F)c2[nH]c(=O)ccc12
InChIInChI=1S/C36H34F2N6O2/c1-19-27-8-10-33(45)40-35(27)29(38)14-28(19)22-5-6-23-12-32(43(31(23)11-22)15-21-3-4-21)34-20(2)30-9-7-24(16-44(30)41-34)36(46)42-17-25(37)13-26(39)18-42/h5-12,14,16,21,25-26H,3-4,13,15,17-18,39H2,1-2H3,(H,40,45)/t25-,26-/m1/s1
InChIKeyUXUJLJVEONEPJM-CLJLJLNGSA-N
XLogP6.14
TPSA101.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.70
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (CID 156829763) is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c3c2)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)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The InChIKey is UXUJLJVEONEPJM-CLJLJLNGSA-N. The full InChI is InChI=1S/C36H34F2N6O2/c1-19-27-8-10-33(45)40-35(27)29(38)14-28(19)22-5-6-23-12-32(43(31(23)11-22)15-21-3-4-21)34-20(2)30-9-7-24(16-44(30)41-34)36(46)42-17-25(37)13-26(39)18-42/h5-12,14,16,21,25-26H,3-4,13,15,17-18,39H2,1-2H3,(H,40,45)/t25-,26-/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)indol-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)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one has a molecular weight of 620.70 g/mol, XLogP of 6.14, 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,5R)-3-amino-5-fluoropiperidine-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 156829763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).