6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one

C35H35N7O2 — CID 156705252

IUPAC6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1c(-c2cc3ccc(-c4ccc5c(c4)CCC(=O)N5)nc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)ccc21
InChIInChI=1S/C35H35N7O2/c1-40-28-11-6-23(35(44)42-18-24-7-12-29(42)32(24)36)15-27(28)39-34(40)30-16-22-5-10-26(38-33(22)41(30)17-19-2-3-19)20-4-9-25-21(14-20)8-13-31(43)37-25/h4-6,9-11,14-16,19,24,29,32H,2-3,7-8,12-13,17-18,36H2,1H3,(H,37,43)/t24-,29-,32-/m1/s1
InChIKeyVKVTUYYEKWGNIJ-GSVBYQBUSA-N
MW585.71 g/mol
LogP5.11
Rot. Bonds5

About 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 156705252) has the molecular formula C35H35N7O2 and a molecular weight of 585.71 g/mol. Its IUPAC name is 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID156705252
Molecular FormulaC35H35N7O2
Molecular Weight585.71 g/mol
Exact Mass585.29
IUPAC Name6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1c(-c2cc3ccc(-c4ccc5c(c4)CCC(=O)N5)nc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)ccc21
InChIInChI=1S/C35H35N7O2/c1-40-28-11-6-23(35(44)42-18-24-7-12-29(42)32(24)36)15-27(28)39-34(40)30-16-22-5-10-26(38-33(22)41(30)17-19-2-3-19)20-4-9-25-21(14-20)8-13-31(43)37-25/h4-6,9-11,14-16,19,24,29,32H,2-3,7-8,12-13,17-18,36H2,1H3,(H,37,43)/t24-,29-,32-/m1/s1
InChIKeyVKVTUYYEKWGNIJ-GSVBYQBUSA-N
XLogP5.11
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one (CID 156705252) is 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one is Cn1c(-c2cc3ccc(-c4ccc5c(c4)CCC(=O)N5)nc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)ccc21.
What is the InChIKey of 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VKVTUYYEKWGNIJ-GSVBYQBUSA-N. The full InChI is InChI=1S/C35H35N7O2/c1-40-28-11-6-23(35(44)42-18-24-7-12-29(42)32(24)36)15-27(28)39-34(40)30-16-22-5-10-26(38-33(22)41(30)17-19-2-3-19)20-4-9-25-21(14-20)8-13-31(43)37-25/h4-6,9-11,14-16,19,24,29,32H,2-3,7-8,12-13,17-18,36H2,1H3,(H,37,43)/t24-,29-,32-/m1/s1.
What are the key properties of 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 585.71 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 156705252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).