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

C28H30N6O3 — CID 122630537

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

N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 122630537) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 122630537
• Molecular Formula: C28H30N6O3
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.24
• IUPAC Name: N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCC(O)CC4)c3)cc12
• InChI: InChI=1S/C28H30N6O3/c35-22-5-7-23(8-6-22)37-24-12-19(14-29-16-24)18-2-9-26-25(13-18)27(33-32-26)28(36)31-20-3-4-21(30-15-20)17-34-10-1-11-34/h2-4,9,12-16,22-23,35H,1,5-8,10-11,17H2,(H,31,36)(H,32,33)
• InChIKey: OHQUGCZLFPQMAW-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 116.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide (CID 122630537) is N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCC(O)CC4)c3)cc12.

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

The InChIKey is OHQUGCZLFPQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c35-22-5-7-23(8-6-22)37-24-12-19(14-29-16-24)18-2-9-26-25(13-18)27(33-32-26)28(36)31-20-3-4-21(30-15-20)17-34-10-1-11-34/h2-4,9,12-16,22-23,35H,1,5-8,10-11,17H2,(H,31,36)(H,32,33).

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

N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).