6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one

C37H37FN6O3 — CID 156829532

IUPAC6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cn2nc(-c3cc4ccc(-c5cc(F)c6[nH]c(=O)ccc6c5C)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C37H37FN6O3/c1-20-27-10-11-33(45)40-35(27)29(38)16-28(20)23-8-9-24-14-31(43(30(24)13-23)17-22-6-7-22)34-21(2)36-32(47-3)15-25(18-44(36)41-34)37(46)42-12-4-5-26(39)19-42/h8-11,13-16,18,22,26H,4-7,12,17,19,39H2,1-3H3,(H,40,45)/t26-/m1/s1
InChIKeyMYKUERKHSVKKBS-AREMUKBSSA-N
MW632.74 g/mol
LogP6.20
Rot. Bonds6

About 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-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]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (PubChem CID 156829532) has the molecular formula C37H37FN6O3 and a molecular weight of 632.74 g/mol. Its IUPAC name is 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-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]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
PubChem CID156829532
Molecular FormulaC37H37FN6O3
Molecular Weight632.74 g/mol
Exact Mass632.29
IUPAC Name6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cn2nc(-c3cc4ccc(-c5cc(F)c6[nH]c(=O)ccc6c5C)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C37H37FN6O3/c1-20-27-10-11-33(45)40-35(27)29(38)16-28(20)23-8-9-24-14-31(43(30(24)13-23)17-22-6-7-22)34-21(2)36-32(47-3)15-25(18-44(36)41-34)37(46)42-12-4-5-26(39)19-42/h8-11,13-16,18,22,26H,4-7,12,17,19,39H2,1-3H3,(H,40,45)/t26-/m1/s1
InChIKeyMYKUERKHSVKKBS-AREMUKBSSA-N
XLogP6.20
TPSA110.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.74
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-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]-4-methoxy-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]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one (CID 156829532) is 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-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]-4-methoxy-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]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one is COc1cc(C(=O)N2CCC[C@@H](N)C2)cn2nc(-c3cc4ccc(-c5cc(F)c6[nH]c(=O)ccc6c5C)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-8-fluoro-5-methyl-1H-quinolin-2-one?
The InChIKey is MYKUERKHSVKKBS-AREMUKBSSA-N. The full InChI is InChI=1S/C37H37FN6O3/c1-20-27-10-11-33(45)40-35(27)29(38)16-28(20)23-8-9-24-14-31(43(30(24)13-23)17-22-6-7-22)34-21(2)36-32(47-3)15-25(18-44(36)41-34)37(46)42-12-4-5-26(39)19-42/h8-11,13-16,18,22,26H,4-7,12,17,19,39H2,1-3H3,(H,40,45)/t26-/m1/s1.
What are the key properties of 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-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]-4-methoxy-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 632.74 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-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 156829532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).