N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide

C31H39N7O4S — CID 164554316

IUPACN-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide
SMILESCOc1cc(C(=O)N2C[C@H](N)CC[C@@H]2C)cc2nc(-c3cc4ccc(N(C5CC5)S(C)(=O)=O)nc4n3CC3CC3)n(C)c12
InChIInChI=1S/C31H39N7O4S/c1-18-5-9-22(32)17-36(18)31(39)21-13-24-28(26(15-21)42-3)35(2)30(33-24)25-14-20-8-12-27(38(23-10-11-23)43(4,40)41)34-29(20)37(25)16-19-6-7-19/h8,12-15,18-19,22-23H,5-7,9-11,16-17,32H2,1-4H3/t18-,22+/m0/s1
InChIKeyXXHAPXSCIBBBPR-PGRDOPGGSA-N
MW605.77 g/mol
LogP3.89
Rot. Bonds8

About N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide

N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide (PubChem CID 164554316) has the molecular formula C31H39N7O4S and a molecular weight of 605.77 g/mol. Its IUPAC name is N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide
PubChem CID164554316
Molecular FormulaC31H39N7O4S
Molecular Weight605.77 g/mol
Exact Mass605.28
IUPAC NameN-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide
SMILESCOc1cc(C(=O)N2C[C@H](N)CC[C@@H]2C)cc2nc(-c3cc4ccc(N(C5CC5)S(C)(=O)=O)nc4n3CC3CC3)n(C)c12
InChIInChI=1S/C31H39N7O4S/c1-18-5-9-22(32)17-36(18)31(39)21-13-24-28(26(15-21)42-3)35(2)30(33-24)25-14-20-8-12-27(38(23-10-11-23)43(4,40)41)34-29(20)37(25)16-19-6-7-19/h8,12-15,18-19,22-23H,5-7,9-11,16-17,32H2,1-4H3/t18-,22+/m0/s1
InChIKeyXXHAPXSCIBBBPR-PGRDOPGGSA-N
XLogP3.89
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-[cyclopropyl(methylsulfanyl)amino]pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 164554431
(5S)-1-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-5-methylpyrrolidin-2-one
CID 167416781
N-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylcyclopropanesulfonamide
CID 167416859
N-[2-[5-[(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 170672673
N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide
CID 167416855
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-[2-methyl-4-(methylsulfonylmethyl)phenyl]pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166494488
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166493634
[2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 167257470
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 175829955
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166493857
[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(6S)-6-methyl-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 145329831
[(7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166493703

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide (CID 164554316) is N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide is COc1cc(C(=O)N2C[C@H](N)CC[C@@H]2C)cc2nc(-c3cc4ccc(N(C5CC5)S(C)(=O)=O)nc4n3CC3CC3)n(C)c12.
What is the InChIKey of N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide?
The InChIKey is XXHAPXSCIBBBPR-PGRDOPGGSA-N. The full InChI is InChI=1S/C31H39N7O4S/c1-18-5-9-22(32)17-36(18)31(39)21-13-24-28(26(15-21)42-3)35(2)30(33-24)25-14-20-8-12-27(38(23-10-11-23)43(4,40)41)34-29(20)37(25)16-19-6-7-19/h8,12-15,18-19,22-23H,5-7,9-11,16-17,32H2,1-4H3/t18-,22+/m0/s1.
What are the key properties of N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide?
N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide has a molecular weight of 605.77 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 164554316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).