1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile

C23H20N10O — CID 175985352

About 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile

1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile (PubChem CID 175985352) has the molecular formula C23H20N10O and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
• PubChem CID: 175985352
• Molecular Formula: C23H20N10O
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.18
• IUPAC Name: 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile
• SMILES: Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)c3cn2)nn1
• InChI: InChI=1S/C23H20N10O/c1-13-4-6-20(30-29-13)27-21-9-18-19(11-25-21)32(12-26-18)22-7-5-17(15(3)34)23(28-22)33-14(2)8-16(10-24)31-33/h4-9,11-12,15,34H,1-3H3,(H,25,27,30)
• InChIKey: XELNNUJRQXCODY-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 143.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?

The IUPAC name of 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile (CID 175985352) is 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile.

What is the SMILES notation for 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?

The canonical SMILES for 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile is Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)c3cn2)nn1.

What is the InChIKey of 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?

The InChIKey is XELNNUJRQXCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N10O/c1-13-4-6-20(30-29-13)27-21-9-18-19(11-25-21)32(12-26-18)22-7-5-17(15(3)34)23(28-22)33-14(2)8-16(10-24)31-33/h4-9,11-12,15,34H,1-3H3,(H,25,27,30).

What are the key properties of 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile?

1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile has a molecular weight of 452.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-hydroxyethyl)-6-[6-[(6-methylpyridazin-3-yl)amino]imidazo[4,5-c]pyridin-3-yl]-2-pyridinyl]-5-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 175985352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).