4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one

C16H10Cl2F4N4O — CID 156697793

About 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one

4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 156697793) has the molecular formula C16H10Cl2F4N4O and a molecular weight of 421.18 g/mol. Its IUPAC name is 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 156697793
• Molecular Formula: C16H10Cl2F4N4O
• Molecular Weight: 421.18 g/mol
• Exact Mass: 420.02
• IUPAC Name: 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: Cc1ccnc([C@@H](C)C(F)(F)F)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
• InChI: InChI=1S/C16H10Cl2F4N4O/c1-6-3-4-23-10(7(2)16(20,21)22)11(6)26-14-8(12(17)25-15(26)27)5-9(19)13(18)24-14/h3-5,7H,1-2H3/t7-/m1/s1
• InChIKey: OOOJKUPHHRDQAW-SSDOTTSWSA-N
• XLogP: 4.60
• TPSA: 60.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.18
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one (CID 156697793) is 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one is Cc1ccnc([C@@H](C)C(F)(F)F)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.

What is the InChIKey of 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is OOOJKUPHHRDQAW-SSDOTTSWSA-N. The full InChI is InChI=1S/C16H10Cl2F4N4O/c1-6-3-4-23-10(7(2)16(20,21)22)11(6)26-14-8(12(17)25-15(26)27)5-9(19)13(18)24-14/h3-5,7H,1-2H3/t7-/m1/s1.

What are the key properties of 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one?

4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 421.18 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156697793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).