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

C20H26N6O2 — CID 95850590

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

1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95850590) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95850590
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: 1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2
• InChI: InChI=1S/C20H26N6O2/c1-12(2)16-9-17(24-23-16)20(28)25-8-6-15-14(11-25)10-21-19(22-15)18-5-4-7-26(18)13(3)27/h9-10,12,18H,4-8,11H2,1-3H3,(H,23,24)/t18-/m1/s1
• InChIKey: AMJMUYGJJIVXPO-GOSISDBHSA-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-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95850590) is 1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2.

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

The InChIKey is AMJMUYGJJIVXPO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12(2)16-9-17(24-23-16)20(28)25-8-6-15-14(11-25)10-21-19(22-15)18-5-4-7-26(18)13(3)27/h9-10,12,18H,4-8,11H2,1-3H3,(H,23,24)/t18-/m1/s1.

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

1-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-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-[(2R)-2-[6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95850590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).