1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one

C24H29N5O2 — CID 137145906

About 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one

1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137145906) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
• PubChem CID: 137145906
• Molecular Formula: C24H29N5O2
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.23
• IUPAC Name: 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
• SMILES: Cc1cc(Nc2nn(C3CCCCC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1
• InChI: InChI=1S/C24H29N5O2/c1-16-15-17(9-10-19(16)24(31)28-13-5-6-14-28)26-22-21-20(11-12-25-23(21)30)29(27-22)18-7-3-2-4-8-18/h9-12,15,18H,2-8,13-14H2,1H3,(H,25,30)(H,26,27)
• InChIKey: VYCVGVPPTKRXMW-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?

The IUPAC name of 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137145906) is 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one.

What is the SMILES notation for 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?

The canonical SMILES for 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one is Cc1cc(Nc2nn(C3CCCCC3)c3cc[nH]c(=O)c23)ccc1C(=O)N1CCCC1.

What is the InChIKey of 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?

The InChIKey is VYCVGVPPTKRXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-15-17(9-10-19(16)24(31)28-13-5-6-14-28)26-22-21-20(11-12-25-23(21)30)29(27-22)18-7-3-2-4-8-18/h9-12,15,18H,2-8,13-14H2,1H3,(H,25,30)(H,26,27).

What are the key properties of 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one?

1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 419.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137145906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).