4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one

C24H22F2N4O — CID 165386618

About 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one

4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one (PubChem CID 165386618) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one
• PubChem CID: 165386618
• Molecular Formula: C24H22F2N4O
• Molecular Weight: 420.46 g/mol
• Exact Mass: 420.18
• IUPAC Name: 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one
• SMILES: C#C[C@@H](Nc1nc(C)nc2cc(=O)n(C3(C)CC3)cc12)c1cccc2c1CCC2(F)F
• InChI: InChI=1S/C24H22F2N4O/c1-4-19(16-6-5-7-18-15(16)8-9-24(18,25)26)29-22-17-13-30(23(3)10-11-23)21(31)12-20(17)27-14(2)28-22/h1,5-7,12-13,19H,8-11H2,2-3H3,(H,27,28,29)/t19-/m1/s1
• InChIKey: QXIWSDAMVXAHAU-LJQANCHMSA-N
• XLogP: 4.43
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.46
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one?

The IUPAC name of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one (CID 165386618) is 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one?

The canonical SMILES for 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one is C#C[C@@H](Nc1nc(C)nc2cc(=O)n(C3(C)CC3)cc12)c1cccc2c1CCC2(F)F.

What is the InChIKey of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one?

The InChIKey is QXIWSDAMVXAHAU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-4-19(16-6-5-7-18-15(16)8-9-24(18,25)26)29-22-17-13-30(23(3)10-11-23)21(31)12-20(17)27-14(2)28-22/h1,5-7,12-13,19H,8-11H2,2-3H3,(H,27,28,29)/t19-/m1/s1.

What are the key properties of 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one?

4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 420.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)prop-2-ynyl]amino]-2-methyl-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 165386618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).