6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H27FN4O2 — CID 136795901

About 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795901) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136795901
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CC1CC1C(=O)N1CCCC1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2
• InChI: InChI=1S/C23H27FN4O2/c1-14-11-16(14)23(30)28-9-4-7-20(28)21-25-19-8-10-27(13-17(19)22(29)26-21)12-15-5-2-3-6-18(15)24/h2-3,5-6,14,16,20H,4,7-13H2,1H3,(H,25,26,29)
• InChIKey: ULFOUKLGNKCACO-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795901) is 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CC1C(=O)N1CCCC1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2.

What is the InChIKey of 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is ULFOUKLGNKCACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14-11-16(14)23(30)28-9-4-7-20(28)21-25-19-8-10-27(13-17(19)22(29)26-21)12-15-5-2-3-6-18(15)24/h2-3,5-6,14,16,20H,4,7-13H2,1H3,(H,25,26,29).

What are the key properties of 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 410.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-fluorophenyl)methyl]-2-[1-(2-methylcyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).