1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C20H26N6O2 — CID 110240903

About 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 110240903) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 110240903
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)N1CCc2nc(C3CCCN3C(=O)c3cc(C(C)C)[nH]n3)ncc2C1
• InChI: InChI=1S/C20H26N6O2/c1-12(2)16-9-17(24-23-16)20(28)26-7-4-5-18(26)19-21-10-14-11-25(13(3)27)8-6-15(14)22-19/h9-10,12,18H,4-8,11H2,1-3H3,(H,23,24)
• InChIKey: HVZKDVMOALJCFI-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 95.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 110240903) is 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

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

The canonical SMILES for 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(C3CCCN3C(=O)c3cc(C(C)C)[nH]n3)ncc2C1.

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

The InChIKey is HVZKDVMOALJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12(2)16-9-17(24-23-16)20(28)26-7-4-5-18(26)19-21-10-14-11-25(13(3)27)8-6-15(14)22-19/h9-10,12,18H,4-8,11H2,1-3H3,(H,23,24).

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

1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 382.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 110240903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).