N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide

C₂₄H₂₅BrN₆O — CID 158143436

About N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide (PubChem CID 158143436) has the molecular formula C₂₄H₂₅BrN₆O and a molecular weight of 493.41 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide
• PubChem CID: 158143436
• Molecular Formula: C₂₄H₂₅BrN₆O
• Molecular Weight: 493.41 g/mol
• Exact Mass: 492.13
• IUPAC Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide
• SMILES: N[C@@H]1CCCN(c2c(Br)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1
• InChI: InChI=1S/C24H25BrN6O/c25-19-12-27-20-8-9-21(22(20)23(19)30-10-4-7-18(26)15-30)29-24(32)17-11-28-31(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,26H2,(H,29,32)/t18-/m1/s1
• InChIKey: TWGQBWOYEIWJQF-GOSISDBHSA-N
• XLogP: 3.34
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.41
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?

The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide (CID 158143436) is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide is N[C@@H]1CCCN(c2c(Br)cnc3c2C(NC(=O)c2cnn(Cc4ccccc4)c2)=CC3)C1.

What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?

The InChIKey is TWGQBWOYEIWJQF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25BrN6O/c25-19-12-27-20-8-9-21(22(20)23(19)30-10-4-7-18(26)15-30)29-24(32)17-11-28-31(14-17)13-16-5-2-1-3-6-16/h1-3,5-6,9,11-12,14,18H,4,7-8,10,13,15,26H2,(H,29,32)/t18-/m1/s1.

What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide?

N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide has a molecular weight of 493.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-bromo-7H-cyclopenta[b]pyridin-5-yl]-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 158143436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158143436 — identifiers, structure, computed properties (public domain)

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