ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C26H32FN5O3 — CID 91457437

About ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 91457437) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 91457437
• Molecular Formula: C26H32FN5O3
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.25
• IUPAC Name: ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1C(C)=Nc2c(c(N3CCN(Cc4ccccc4F)CC3)nc(=O)n2C2CC2)C1C
• InChI: InChI=1S/C26H32FN5O3/c1-4-35-25(33)21-16(2)22-23(29-26(34)32(19-9-10-19)24(22)28-17(21)3)31-13-11-30(12-14-31)15-18-7-5-6-8-20(18)27/h5-8,16,19,21H,4,9-15H2,1-3H3
• InChIKey: CRBCTKBIZCAJBG-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 80.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 91457437) is ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1C(C)=Nc2c(c(N3CCN(Cc4ccccc4F)CC3)nc(=O)n2C2CC2)C1C.

What is the InChIKey of ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is CRBCTKBIZCAJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-4-35-25(33)21-16(2)22-23(29-26(34)32(19-9-10-19)24(22)28-17(21)3)31-13-11-30(12-14-31)15-18-7-5-6-8-20(18)27/h5-8,16,19,21H,4,9-15H2,1-3H3.

What are the key properties of ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?

ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 481.57 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-cyclopropyl-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-5,7-dimethyl-2-oxo-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 91457437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).