5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H34N6O — CID 123731782

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 123731782) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 123731782
• Molecular Formula: C30H34N6O
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.28
• IUPAC Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(CCCC2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
• InChI: InChI=1S/C30H34N6O/c37-30(33-26-11-10-25(32-19-26)8-3-7-21-5-1-2-6-21)29-27-16-23(9-12-28(27)34-35-29)24-15-22(17-31-18-24)20-36-13-4-14-36/h9-12,15-19,21H,1-8,13-14,20H2,(H,33,37)(H,34,35)
• InChIKey: XBBNXUHEIZFBQC-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 123731782) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(CCCC2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.

What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is XBBNXUHEIZFBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c37-30(33-26-11-10-25(32-19-26)8-3-7-21-5-1-2-6-21)29-27-16-23(9-12-28(27)34-35-29)24-15-22(17-31-18-24)20-36-13-4-14-36/h9-12,15-19,21H,1-8,13-14,20H2,(H,33,37)(H,34,35).

What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-cyclopentylpropyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123731782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).