[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C25H26FN5O — CID 95833764

About [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 95833764) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

• Compound Name: [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
• PubChem CID: 95833764
• Molecular Formula: C25H26FN5O
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.21
• IUPAC Name: [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
• SMILES: Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCCN2Cc1ccc(F)cc1
• InChI: InChI=1S/C25H26FN5O/c1-17-20-6-4-14-30(16-18-9-11-19(26)12-10-18)24(20)29-23(28-17)22-8-5-15-31(22)25(32)21-7-2-3-13-27-21/h2-3,7,9-13,22H,4-6,8,14-16H2,1H3/t22-/m0/s1
• InChIKey: JWDPPCUYFDCKJT-QFIPXVFZSA-N
• XLogP: 4.25
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 95833764) is [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

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

The canonical SMILES for [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCCN2Cc1ccc(F)cc1.

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

The InChIKey is JWDPPCUYFDCKJT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-17-20-6-4-14-30(16-18-9-11-19(26)12-10-18)24(20)29-23(28-17)22-8-5-15-31(22)25(32)21-7-2-3-13-27-21/h2-3,7,9-13,22H,4-6,8,14-16H2,1H3/t22-/m0/s1.

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

[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 431.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95833764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).