4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide

C38H50N6O3 — CID 174030125

About 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide

4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 174030125) has the molecular formula C38H50N6O3 and a molecular weight of 638.86 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 174030125
• Molecular Formula: C38H50N6O3
• Molecular Weight: 638.86 g/mol
• Exact Mass: 638.39
• IUPAC Name: 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide
• SMILES: CC[C@@H]1CCCN(C(=O)c2cc(OC)c3c(c2)nc(-c2cc4cccc(C5CCN(C(=O)NC(C)C)CC5)c4n2CC2CC2)n3C)C1
• InChI: InChI=1S/C38H50N6O3/c1-6-25-9-8-16-43(22-25)37(45)29-19-31-35(33(21-29)47-5)41(4)36(40-31)32-20-28-10-7-11-30(34(28)44(32)23-26-12-13-26)27-14-17-42(18-15-27)38(46)39-24(2)3/h7,10-11,19-21,24-27H,6,8-9,12-18,22-23H2,1-5H3,(H,39,46)/t25-/m1/s1
• InChIKey: WOTPERTYXNWATJ-RUZDIDTESA-N
• XLogP: 7.17
• TPSA: 84.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.86
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide?

The IUPAC name of 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 174030125) is 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide?

The canonical SMILES for 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide is CC[C@@H]1CCCN(C(=O)c2cc(OC)c3c(c2)nc(-c2cc4cccc(C5CCN(C(=O)NC(C)C)CC5)c4n2CC2CC2)n3C)C1.

What is the InChIKey of 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide?

The InChIKey is WOTPERTYXNWATJ-RUZDIDTESA-N. The full InChI is InChI=1S/C38H50N6O3/c1-6-25-9-8-16-43(22-25)37(45)29-19-31-35(33(21-29)47-5)41(4)36(40-31)32-20-28-10-7-11-30(34(28)44(32)23-26-12-13-26)27-14-17-42(18-15-27)38(46)39-24(2)3/h7,10-11,19-21,24-27H,6,8-9,12-18,22-23H2,1-5H3,(H,39,46)/t25-/m1/s1.

What are the key properties of 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide?

4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 638.86 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclopropylmethyl)-2-[5-[(3R)-3-ethylpiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]indol-7-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 174030125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).