1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one

C96H81ClF9N19O11 — CID 165014372

IUPAC1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one
SMILESCCOc1cc2c(nn1)CN(c1ccc3nn(C)cc3c1)C(=O)N2c1ccc(OC(F)F)cc1.CCOc1ccc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1cnc2c(c1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(F)c(OCC(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1
InChIInChI=1S/C25H19F5N4O3.C25H22F2N4O3.C23H20ClN5O2.C23H20F2N6O3/c1-32-11-14-8-17(4-7-20(14)31-32)33-12-15-9-19(26)22(36-13-23(27)28)10-21(15)34(25(33)35)16-2-5-18(6-3-16)37-24(29)30;1-3-33-21-8-4-16-15-30(19-7-11-22-17(12-19)14-29(2)28-22)25(32)31(23(16)13-21)18-5-9-20(10-6-18)34-24(26)27;1-3-31-19-11-22-21(25-12-19)14-28(18-8-9-20-15(10-18)13-27(2)26-20)23(30)29(22)17-6-4-16(24)5-7-17;1-3-33-21-11-20-19(26-27-21)13-30(16-6-9-18-14(10-16)12-29(2)28-18)23(32)31(20)15-4-7-17(8-5-15)34-22(24)25/h2-11,23-24H,12-13H2,1H3;4-14,24H,3,15H2,1-2H3;4-13H,3,14H2,1-2H3;4-12,22H,3,13H2,1-2H3
InChIKeyKEOSCQHTFVTYFU-UHFFFAOYSA-N
MW1883.26 g/mol
LogP22.03
Rot. Bonds23

About 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one

1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one (PubChem CID 165014372) has the molecular formula C96H81ClF9N19O11 and a molecular weight of 1883.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one
PubChem CID165014372
Molecular FormulaC96H81ClF9N19O11
Molecular Weight1883.26 g/mol
Exact Mass1881.59
IUPAC Name1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one
SMILESCCOc1cc2c(nn1)CN(c1ccc3nn(C)cc3c1)C(=O)N2c1ccc(OC(F)F)cc1.CCOc1ccc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1cnc2c(c1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(F)c(OCC(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1
InChIInChI=1S/C25H19F5N4O3.C25H22F2N4O3.C23H20ClN5O2.C23H20F2N6O3/c1-32-11-14-8-17(4-7-20(14)31-32)33-12-15-9-19(26)22(36-13-23(27)28)10-21(15)34(25(33)35)16-2-5-18(6-3-16)37-24(29)30;1-3-33-21-8-4-16-15-30(19-7-11-22-17(12-19)14-29(2)28-22)25(32)31(23(16)13-21)18-5-9-20(10-6-18)34-24(26)27;1-3-31-19-11-22-21(25-12-19)14-28(18-8-9-20-15(10-18)13-27(2)26-20)23(30)29(22)17-6-4-16(24)5-7-17;1-3-33-21-11-20-19(26-27-21)13-30(16-6-9-18-14(10-16)12-29(2)28-18)23(32)31(20)15-4-7-17(8-5-15)34-22(24)25/h2-11,23-24H,12-13H2,1H3;4-14,24H,3,15H2,1-2H3;4-13H,3,14H2,1-2H3;4-12,22H,3,13H2,1-2H3
InChIKeyKEOSCQHTFVTYFU-UHFFFAOYSA-N
XLogP22.03
TPSA268.76 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001883.26
LogP ≤ 522.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one (CID 165014372) is 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one is CCOc1cc2c(nn1)CN(c1ccc3nn(C)cc3c1)C(=O)N2c1ccc(OC(F)F)cc1.CCOc1ccc2c(c1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1cnc2c(c1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(F)c(OCC(F)F)cc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one?
The InChIKey is KEOSCQHTFVTYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F5N4O3.C25H22F2N4O3.C23H20ClN5O2.C23H20F2N6O3/c1-32-11-14-8-17(4-7-20(14)31-32)33-12-15-9-19(26)22(36-13-23(27)28)10-21(15)34(25(33)35)16-2-5-18(6-3-16)37-24(29)30;1-3-33-21-8-4-16-15-30(19-7-11-22-17(12-19)14-29(2)28-22)25(32)31(23(16)13-21)18-5-9-20(10-6-18)34-24(26)27;1-3-31-19-11-22-21(25-12-19)14-28(18-8-9-20-15(10-18)13-27(2)26-20)23(30)29(22)17-6-4-16(24)5-7-17;1-3-33-21-11-20-19(26-27-21)13-30(16-6-9-18-14(10-16)12-29(2)28-18)23(32)31(20)15-4-7-17(8-5-15)34-22(24)25/h2-11,23-24H,12-13H2,1H3;4-14,24H,3,15H2,1-2H3;4-13H,3,14H2,1-2H3;4-12,22H,3,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one?
1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one has a molecular weight of 1883.26 g/mol, XLogP of 22.03, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one is sourced from PubChem (CID 165014372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).