5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H29N7O2 — CID 89450822

About 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450822) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450822
• Molecular Formula: C27H29N7O2
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.24
• IUPAC Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
• InChI: InChI=1S/C27H29N7O2/c35-22-6-10-34(11-7-22)25-5-3-21(16-29-25)30-27(36)26-23-13-19(2-4-24(23)31-32-26)20-12-18(14-28-15-20)17-33-8-1-9-33/h2-5,12-16,22,35H,1,6-11,17H2,(H,30,36)(H,31,32)
• InChIKey: UAJCAWVNYIBCHH-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 110.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450822) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.

What is the InChIKey of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is UAJCAWVNYIBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-22-6-10-34(11-7-22)25-5-3-21(16-29-25)30-27(36)26-23-13-19(2-4-24(23)31-32-26)20-12-18(14-28-15-20)17-33-8-1-9-33/h2-5,12-16,22,35H,1,6-11,17H2,(H,30,36)(H,31,32).

What are the key properties of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).