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

C25H32FN5O — CID 92622950

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

[1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92622950) has the molecular formula C25H32FN5O and a molecular weight of 437.56 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 92622950
• Molecular Formula: C25H32FN5O
• Molecular Weight: 437.56 g/mol
• Exact Mass: 437.26
• IUPAC Name: [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: CNc1nc([C@@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)nc2c1CCN(C)C2
• InChI: InChI=1S/C25H32FN5O/c1-27-22-17-11-15-30(2)16-20(17)28-23(29-22)21-10-7-14-31(21)24(32)25(12-5-6-13-25)18-8-3-4-9-19(18)26/h3-4,8-9,21H,5-7,10-16H2,1-2H3,(H,27,28,29)/t21-/m0/s1
• InChIKey: VJFYVJHSTINLCB-NRFANRHFSA-N
• XLogP: 3.82
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.56
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 92622950) is [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is CNc1nc([C@@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)nc2c1CCN(C)C2.

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

The InChIKey is VJFYVJHSTINLCB-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32FN5O/c1-27-22-17-11-15-30(2)16-20(17)28-23(29-22)21-10-7-14-31(21)24(32)25(12-5-6-13-25)18-8-3-4-9-19(18)26/h3-4,8-9,21H,5-7,10-16H2,1-2H3,(H,27,28,29)/t21-/m0/s1.

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

[1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 437.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2-fluorophenyl)cyclopentyl]-[(2S)-2-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92622950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).