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

C31H39N7O4S — CID 167416859

IUPACN-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylcyclopropanesulfonamide
SMILESCCN(c1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc(OC)c4n3C)n(CC3CC3)c2n1)S(=O)(=O)C1CC1
InChIInChI=1S/C31H39N7O4S/c1-4-38(43(40,41)23-10-11-23)27-12-9-20-15-25(37(29(20)34-27)17-19-7-8-19)30-33-24-14-21(16-26(42-3)28(24)35(30)2)31(39)36-13-5-6-22(32)18-36/h9,12,14-16,19,22-23H,4-8,10-11,13,17-18,32H2,1-3H3/t22-/m1/s1
InChIKeyQYUCTVIPCCLAIZ-JOCHJYFZSA-N
MW605.77 g/mol
LogP3.89
Rot. Bonds9

About 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

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 (PubChem CID 167416859) has the molecular formula C31H39N7O4S and a molecular weight of 605.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylcyclopropanesulfonamide
PubChem CID167416859
Molecular FormulaC31H39N7O4S
Molecular Weight605.77 g/mol
Exact Mass605.28
IUPAC NameN-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylcyclopropanesulfonamide
SMILESCCN(c1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc(OC)c4n3C)n(CC3CC3)c2n1)S(=O)(=O)C1CC1
InChIInChI=1S/C31H39N7O4S/c1-4-38(43(40,41)23-10-11-23)27-12-9-20-15-25(37(29(20)34-27)17-19-7-8-19)30-33-24-14-21(16-26(42-3)28(24)35(30)2)31(39)36-13-5-6-22(32)18-36/h9,12,14-16,19,22-23H,4-8,10-11,13,17-18,32H2,1-3H3/t22-/m1/s1
InChIKeyQYUCTVIPCCLAIZ-JOCHJYFZSA-N
XLogP3.89
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
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-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylcyclopropanesulfonamide 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

[(3R)-3-aminopiperidin-1-yl]-[2-[7-(cyclopropylmethyl)-2-methylpyrrolo[2,3-d]pyrimidin-6-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 129230157
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 167416974
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
(3-aminopiperidin-1-yl)-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158934
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
(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
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-(2-methylsulfonylethyl)benzimidazol-5-yl]methanone
CID 166764349
[2-[1-(cyclopropylmethyl)-6-(oxan-4-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 134482149
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-hydroxy-1-methylbenzimidazol-5-yl]methanone
CID 134481914
(3-aminopiperidin-1-yl)-[2-[1-(2,2-dimethylpropyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 118158974

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(c1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc(OC)c4n3C)n(CC3CC3)c2n1)S(=O)(=O)C1CC1.
What is the InChIKey of 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?
The InChIKey is QYUCTVIPCCLAIZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H39N7O4S/c1-4-38(43(40,41)23-10-11-23)27-12-9-20-15-25(37(29(20)34-27)17-19-7-8-19)30-33-24-14-21(16-26(42-3)28(24)35(30)2)31(39)36-13-5-6-22(32)18-36/h9,12,14-16,19,22-23H,4-8,10-11,13,17-18,32H2,1-3H3/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 605.77 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167416859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).