N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C₂₆H₂₉N₅O — CID 142297464

About N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 142297464) has the molecular formula C₂₆H₂₉N₅O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
• PubChem CID: 142297464
• Molecular Formula: C₂₆H₂₉N₅O
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.24
• IUPAC Name: N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
• SMILES: Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4c3ccn4C)cc2)cn1
• InChI: InChI=1S/C26H29N5O/c1-30-13-12-23-20(14-18-8-10-19(11-9-18)21-16-27-31(2)17-21)15-24(29-25(23)30)26(32)28-22-6-4-3-5-7-22/h8-13,15-17,22H,3-7,14H2,1-2H3,(H,28,32)
• InChIKey: XKZKEKAORPOXOH-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?

The IUPAC name of N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 142297464) is N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

What is the SMILES notation for N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?

The canonical SMILES for N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCCCC4)nc4c3ccn4C)cc2)cn1.

What is the InChIKey of N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?

The InChIKey is XKZKEKAORPOXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-30-13-12-23-20(14-18-8-10-19(11-9-18)21-16-27-31(2)17-21)15-24(29-25(23)30)26(32)28-22-6-4-3-5-7-22/h8-13,15-17,22H,3-7,14H2,1-2H3,(H,28,32).

What are the key properties of N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?

N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 142297464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142297464 — identifiers, structure, computed properties (public domain)

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