1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C19H26N6O — CID 110241537

About 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 110241537) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• PubChem CID: 110241537
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• SMILES: Cc1ccnn1CCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)C1
• InChI: InChI=1S/C19H26N6O/c1-14-3-7-21-25(14)10-6-18(26)24-9-4-15(13-24)19-20-11-16-12-23(2)8-5-17(16)22-19/h3,7,11,15H,4-6,8-10,12-13H2,1-2H3
• InChIKey: RKZWFMQQNVTLIG-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 110241537) is 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

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

The canonical SMILES for 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)C1.

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

The InChIKey is RKZWFMQQNVTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-3-7-21-25(14)10-6-18(26)24-9-4-15(13-24)19-20-11-16-12-23(2)8-5-17(16)22-19/h3,7,11,15H,4-6,8-10,12-13H2,1-2H3.

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

1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 354.46 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 110241537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).