6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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

C37H36F2N6O3 — CID 156829514

IUPAC6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5cc(F)c6[nH]c(=O)ccc6c5C)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C37H36F2N6O3/c1-19-27-8-9-33(46)41-35(27)29(39)14-28(19)22-6-7-23-11-31(44(30(23)10-22)15-21-4-5-21)34-20(2)36-32(48-3)12-24(16-45(36)42-34)37(47)43-17-25(38)13-26(40)18-43/h6-12,14,16,21,25-26H,4-5,13,15,17-18,40H2,1-3H3,(H,41,46)/t25-,26-/m1/s1
InChIKeyIINBVAXVPPBSDM-CLJLJLNGSA-N
MW650.73 g/mol
LogP6.15
Rot. Bonds6

About 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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 156829514) has the molecular formula C37H36F2N6O3 and a molecular weight of 650.73 g/mol. Its IUPAC name is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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 CID156829514
Molecular FormulaC37H36F2N6O3
Molecular Weight650.73 g/mol
Exact Mass650.28
IUPAC Name6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5cc(F)c6[nH]c(=O)ccc6c5C)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C37H36F2N6O3/c1-19-27-8-9-33(46)41-35(27)29(39)14-28(19)22-6-7-23-11-31(44(30(23)10-22)15-21-4-5-21)34-20(2)36-32(48-3)12-24(16-45(36)42-34)37(47)43-17-25(38)13-26(40)18-43/h6-12,14,16,21,25-26H,4-5,13,15,17-18,40H2,1-3H3,(H,41,46)/t25-,26-/m1/s1
InChIKeyIINBVAXVPPBSDM-CLJLJLNGSA-N
XLogP6.15
TPSA110.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.73
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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 156829514) is 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5cc(F)c6[nH]c(=O)ccc6c5C)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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 IINBVAXVPPBSDM-CLJLJLNGSA-N. The full InChI is InChI=1S/C37H36F2N6O3/c1-19-27-8-9-33(46)41-35(27)29(39)14-28(19)22-6-7-23-11-31(44(30(23)10-22)15-21-4-5-21)34-20(2)36-32(48-3)12-24(16-45(36)42-34)37(47)43-17-25(38)13-26(40)18-43/h6-12,14,16,21,25-26H,4-5,13,15,17-18,40H2,1-3H3,(H,41,46)/t25-,26-/m1/s1.
What are the key properties of 6-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-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,5R)-3-amino-5-fluoropiperidine-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 650.73 g/mol, XLogP of 6.15, 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,5R)-3-amino-5-fluoropiperidine-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 156829514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).