1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide

C26H29N5O2 — CID 112820584

About 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide

1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide (PubChem CID 112820584) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
• PubChem CID: 112820584
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
• SMILES: COc1ccc2c(c1)c(C(=O)NCc1ccnc(-n3cccn3)c1)c(C)n2C1CCCCC1
• InChI: InChI=1S/C26H29N5O2/c1-18-25(26(32)28-17-19-11-13-27-24(15-19)30-14-6-12-29-30)22-16-21(33-2)9-10-23(22)31(18)20-7-4-3-5-8-20/h6,9-16,20H,3-5,7-8,17H2,1-2H3,(H,28,32)
• InChIKey: MRRPSZGMYLZING-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide?

The IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide (CID 112820584) is 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide.

What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide?

The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NCc1ccnc(-n3cccn3)c1)c(C)n2C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide?

The InChIKey is MRRPSZGMYLZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18-25(26(32)28-17-19-11-13-27-24(15-19)30-14-6-12-29-30)22-16-21(33-2)9-10-23(22)31(18)20-7-4-3-5-8-20/h6,9-16,20H,3-5,7-8,17H2,1-2H3,(H,28,32).

What are the key properties of 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide?

1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 112820584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).