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

C34H34FN7O2 — CID 166493437

IUPAC6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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](N)C[C@@H](F)C3)ccc21
InChIInChI=1S/C34H34FN7O2/c1-40-29-10-6-23(34(44)41-17-24(35)15-25(36)18-41)13-28(29)39-33(40)30-14-22-5-9-27(38-32(22)42(30)16-19-2-3-19)20-4-8-26-21(12-20)7-11-31(43)37-26/h4-6,8-10,12-14,19,24-25H,2-3,7,11,15-18,36H2,1H3,(H,37,43)/t24-,25-/m1/s1
InChIKeyTUCCGPQLRMMEFI-JWQCQUIFSA-N
MW591.69 g/mol
LogP5.06
Rot. Bonds5

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

6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 166493437) has the molecular formula C34H34FN7O2 and a molecular weight of 591.69 g/mol. Its IUPAC name is 6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID166493437
Molecular FormulaC34H34FN7O2
Molecular Weight591.69 g/mol
Exact Mass591.28
IUPAC Name6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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](N)C[C@@H](F)C3)ccc21
InChIInChI=1S/C34H34FN7O2/c1-40-29-10-6-23(34(44)41-17-24(35)15-25(36)18-41)13-28(29)39-33(40)30-14-22-5-9-27(38-32(22)42(30)16-19-2-3-19)20-4-8-26-21(12-20)7-11-31(43)37-26/h4-6,8-10,12-14,19,24-25H,2-3,7,11,15-18,36H2,1H3,(H,37,43)/t24-,25-/m1/s1
InChIKeyTUCCGPQLRMMEFI-JWQCQUIFSA-N
XLogP5.06
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.69
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one (CID 166493437) is 6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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-[(3R,5R)-3-amino-5-fluoropiperidine-1-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-[(3R,5R)-3-amino-5-fluoropiperidine-1-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](N)C[C@@H](F)C3)ccc21.
What is the InChIKey of 6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TUCCGPQLRMMEFI-JWQCQUIFSA-N. The full InChI is InChI=1S/C34H34FN7O2/c1-40-29-10-6-23(34(44)41-17-24(35)15-25(36)18-41)13-28(29)39-33(40)30-14-22-5-9-27(38-32(22)42(30)16-19-2-3-19)20-4-8-26-21(12-20)7-11-31(43)37-26/h4-6,8-10,12-14,19,24-25H,2-3,7,11,15-18,36H2,1H3,(H,37,43)/t24-,25-/m1/s1.
What are the key properties of 6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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 591.69 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[(3R,5R)-3-amino-5-fluoropiperidine-1-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 166493437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).