7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine

C48H39ClF10N12O4 — CID 165105250

About 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine

7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine (PubChem CID 165105250) has the molecular formula C48H39ClF10N12O4 and a molecular weight of 1073.35 g/mol. Its IUPAC name is 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine
• PubChem CID: 165105250
• Molecular Formula: C48H39ClF10N12O4
• Molecular Weight: 1073.35 g/mol
• Exact Mass: 1072.27
• IUPAC Name: 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine
• SMILES: Cn1cc2cc(N3Cc4ccc(Cl)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.NCC(F)(F)F
• InChI: InChI=1S/C24H19F5N6O2.C22H16ClF2N5O2.C2H4F3N/c1-33-11-15-10-17(5-8-19(15)32-33)34-12-14-2-9-20(30-13-24(27,28)29)31-21(14)35(23(34)36)16-3-6-18(7-4-16)37-22(25)26;1-28-11-14-10-16(5-8-18(14)27-28)29-12-13-2-9-19(23)26-20(13)30(22(29)31)15-3-6-17(7-4-15)32-21(24)25;3-2(4,5)1-6/h2-11,22H,12-13H2,1H3,(H,30,31);2-11,21H,12H2,1H3;1,6H2
• InChIKey: ZAAXCAQMTYXVHA-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 165.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.35
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine?

The IUPAC name of 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine (CID 165105250) is 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine.

What is the SMILES notation for 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine?

The canonical SMILES for 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine is Cn1cc2cc(N3Cc4ccc(Cl)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.NCC(F)(F)F.

What is the InChIKey of 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine?

The InChIKey is ZAAXCAQMTYXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N6O2.C22H16ClF2N5O2.C2H4F3N/c1-33-11-15-10-17(5-8-19(15)32-33)34-12-14-2-9-20(30-13-24(27,28)29)31-21(14)35(23(34)36)16-3-6-18(7-4-16)37-22(25)26;1-28-11-14-10-16(5-8-18(14)27-28)29-12-13-2-9-19(23)26-20(13)30(22(29)31)15-3-6-17(7-4-15)32-21(24)25;3-2(4,5)1-6/h2-11,22H,12-13H2,1H3,(H,30,31);2-11,21H,12H2,1H3;1,6H2.

What are the key properties of 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine?

7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine has a molecular weight of 1073.35 g/mol, XLogP of 11.83, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;2,2,2-trifluoroethanamine is sourced from PubChem (CID 165105250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).