8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

C21H26N6O — CID 154883122

About 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154883122) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 154883122
• Molecular Formula: C21H26N6O
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.22
• IUPAC Name: 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cnn(CC2CN(c3ncc4c(C)cc(=O)n(C5CCCC5)c4n3)C2)c1
• InChI: InChI=1S/C21H26N6O/c1-14-8-23-26(10-14)13-16-11-25(12-16)21-22-9-18-15(2)7-19(28)27(20(18)24-21)17-5-3-4-6-17/h7-10,16-17H,3-6,11-13H2,1-2H3
• InChIKey: LYTYKSZBZVBWQV-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 154883122) is 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is Cc1cnn(CC2CN(c3ncc4c(C)cc(=O)n(C5CCCC5)c4n3)C2)c1.

What is the InChIKey of 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is LYTYKSZBZVBWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-8-23-26(10-14)13-16-11-25(12-16)21-22-9-18-15(2)7-19(28)27(20(18)24-21)17-5-3-4-6-17/h7-10,16-17H,3-6,11-13H2,1-2H3.

What are the key properties of 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 378.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-5-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154883122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).