5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

C24H24N6O3 — CID 118381720

About 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381720) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
• PubChem CID: 118381720
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC(CO)(CO)C4)c3)cc12
• InChI: InChI=1S/C24H24N6O3/c31-14-24(15-32)12-30(13-24)11-16-6-18(9-26-8-16)17-3-4-21-20(7-17)22(29-28-21)23(33)27-19-2-1-5-25-10-19/h1-10,31-32H,11-15H2,(H,27,33)(H,28,29)
• InChIKey: IZRNLJNOSVICSR-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 127.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381720) is 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(CN4CC(CO)(CO)C4)c3)cc12.

What is the InChIKey of 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

The InChIKey is IZRNLJNOSVICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c31-14-24(15-32)12-30(13-24)11-16-6-18(9-26-8-16)17-3-4-21-20(7-17)22(29-28-21)23(33)27-19-2-1-5-25-10-19/h1-10,31-32H,11-15H2,(H,27,33)(H,28,29).

What are the key properties of 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).