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

C26H27N7O2 — CID 89450813

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

N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450813) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450813
• Molecular Formula: C26H27N7O2
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.22
• IUPAC Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
• InChI: InChI=1S/C26H27N7O2/c34-26(29-21-3-5-24(28-16-21)33-6-1-7-33)25-22-13-19(2-4-23(22)30-31-25)20-12-18(14-27-15-20)17-32-8-10-35-11-9-32/h2-5,12-16H,1,6-11,17H2,(H,29,34)(H,30,31)
• InChIKey: GFDRLLOXPXEKHN-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450813) is N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.

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

The InChIKey is GFDRLLOXPXEKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c34-26(29-21-3-5-24(28-16-21)33-6-1-7-33)25-22-13-19(2-4-23(22)30-31-25)20-12-18(14-27-15-20)17-32-8-10-35-11-9-32/h2-5,12-16H,1,6-11,17H2,(H,29,34)(H,30,31).

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

N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).