1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one

C24H31FN4O2 — CID 95833798

About 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one

1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 95833798) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

• Compound Name: 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
• PubChem CID: 95833798
• Molecular Formula: C24H31FN4O2
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.24
• IUPAC Name: 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
• SMILES: COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1
• InChI: InChI=1S/C24H31FN4O2/c1-17-21-4-3-12-29(16-18-5-7-20(25)8-6-18)24(21)27-23(26-17)19-9-13-28(14-10-19)22(30)11-15-31-2/h5-8,19H,3-4,9-16H2,1-2H3
• InChIKey: XFAADZAHHWHQMN-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one?

The IUPAC name of 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one (CID 95833798) is 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one.

What is the SMILES notation for 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one?

The canonical SMILES for 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1.

What is the InChIKey of 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one?

The InChIKey is XFAADZAHHWHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-17-21-4-3-12-29(16-18-5-7-20(25)8-6-18)24(21)27-23(26-17)19-9-13-28(14-10-19)22(30)11-15-31-2/h5-8,19H,3-4,9-16H2,1-2H3.

What are the key properties of 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one?

1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 426.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 95833798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).