7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C81H99F6N17O9 — CID 164996565

About 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 164996565) has the molecular formula C81H99F6N17O9 and a molecular weight of 1568.78 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• PubChem CID: 164996565
• Molecular Formula: C81H99F6N17O9
• Molecular Weight: 1568.78 g/mol
• Exact Mass: 1567.77
• IUPAC Name: 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• SMILES: CN[C@@H]1CCCC[C@H]1NC.COC1CC=C(C)CC1.COC1CC=C(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC(F)F)nc32)CC1.COC1CCC(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC(F)F)nc32)CC1.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4NC3=O)ccc2n1
• InChI: InChI=1S/C24H27F2N5O3.C24H25F2N5O3.C17H15F2N5O2.C8H18N2.C8H14O/c2*1-29-12-16-11-18(6-9-20(16)28-29)30-13-15-3-10-22(34-14-21(25)26)27-23(15)31(24(30)32)17-4-7-19(33-2)8-5-17;1-23-7-11-6-12(3-4-13(11)22-23)24-8-10-2-5-15(26-9-14(18)19)20-16(10)21-17(24)25;1-9-7-5-3-4-6-8(7)10-2;1-7-3-5-8(9-2)6-4-7/h3,6,9-12,17,19,21H,4-5,7-8,13-14H2,1-2H3;3-4,6,9-12,19,21H,5,7-8,13-14H2,1-2H3;2-7,14H,8-9H2,1H3,(H,20,21,25);7-10H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3/t;;;7-,8-;/m...1./s1
• InChIKey: HQEUVRSTWKYSTA-JPQKBTKASA-N
• XLogP: 15.19
• TPSA: 251.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1568.78
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The IUPAC name of 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 164996565) is 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

What is the SMILES notation for 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The canonical SMILES for 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CN[C@@H]1CCCC[C@H]1NC.COC1CC=C(C)CC1.COC1CC=C(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC(F)F)nc32)CC1.COC1CCC(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3ccc(OCC(F)F)nc32)CC1.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4NC3=O)ccc2n1.

What is the InChIKey of 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The InChIKey is HQEUVRSTWKYSTA-JPQKBTKASA-N. The full InChI is InChI=1S/C24H27F2N5O3.C24H25F2N5O3.C17H15F2N5O2.C8H18N2.C8H14O/c2*1-29-12-16-11-18(6-9-20(16)28-29)30-13-15-3-10-22(34-14-21(25)26)27-23(15)31(24(30)32)17-4-7-19(33-2)8-5-17;1-23-7-11-6-12(3-4-13(11)22-23)24-8-10-2-5-15(26-9-14(18)19)20-16(10)21-17(24)25;1-9-7-5-3-4-6-8(7)10-2;1-7-3-5-8(9-2)6-4-7/h3,6,9-12,17,19,21H,4-5,7-8,13-14H2,1-2H3;3-4,6,9-12,19,21H,5,7-8,13-14H2,1-2H3;2-7,14H,8-9H2,1H3,(H,20,21,25);7-10H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3/t;;;7-,8-;/m...1./s1.

What are the key properties of 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 1568.78 g/mol, XLogP of 15.19, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexen-1-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;4-methoxy-1-methylcyclohexene;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 164996565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).