5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H31N7O2 — CID 166774340

About 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 166774340) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 166774340
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(C3=CC(CN4CCC4)CN=C3)cc12
• InChI: InChI=1S/C27H31N7O2/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/h2-5,12-13,15-16,18,22,35H,1,6-11,14,17H2,(H,30,36)(H,31,32)
• InChIKey: WZMCPFVASPQLHL-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 109.74 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	485.59
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 166774340) is 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC(O)CC2)nc1)c1n[nH]c2ccc(C3=CC(CN4CCC4)CN=C3)cc12.

What is the InChIKey of 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is WZMCPFVASPQLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/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/h2-5,12-13,15-16,18,22,35H,1,6-11,14,17H2,(H,30,36)(H,31,32).

What are the key properties of 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(azetidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166774340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).