3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide

C30H35ClN4O2 — CID 11214541

About 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide

3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide (PubChem CID 11214541) has the molecular formula C30H35ClN4O2 and a molecular weight of 519.09 g/mol. Its IUPAC name is 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide
• PubChem CID: 11214541
• Molecular Formula: C30H35ClN4O2
• Molecular Weight: 519.09 g/mol
• Exact Mass: 518.24
• IUPAC Name: 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide
• SMILES: O=C(NCC1(NC(=O)c2ccc3c(Cl)c[nH]c3c2)CCCC1)c1ccc(C2(CN3CCCC3)CC2)cc1
• InChI: InChI=1S/C30H35ClN4O2/c31-25-18-32-26-17-22(7-10-24(25)26)28(37)34-30(11-1-2-12-30)19-33-27(36)21-5-8-23(9-6-21)29(13-14-29)20-35-15-3-4-16-35/h5-10,17-18,32H,1-4,11-16,19-20H2,(H,33,36)(H,34,37)
• InChIKey: QWGSHEOCPMTTTN-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.09
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide?

The IUPAC name of 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide (CID 11214541) is 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide?

The canonical SMILES for 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide is O=C(NCC1(NC(=O)c2ccc3c(Cl)c[nH]c3c2)CCCC1)c1ccc(C2(CN3CCCC3)CC2)cc1.

What is the InChIKey of 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide?

The InChIKey is QWGSHEOCPMTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O2/c31-25-18-32-26-17-22(7-10-24(25)26)28(37)34-30(11-1-2-12-30)19-33-27(36)21-5-8-23(9-6-21)29(13-14-29)20-35-15-3-4-16-35/h5-10,17-18,32H,1-4,11-16,19-20H2,(H,33,36)(H,34,37).

What are the key properties of 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide?

3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide has a molecular weight of 519.09 g/mol, XLogP of 5.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]methyl]cyclopentyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 11214541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).