5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

C89H63ClF12N28O5 — CID 161090441

IUPAC5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCOCc1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5c4CCCC5)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cccc(Cl)c45)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C23H13ClF3N7O.C23H18F3N7O.C22H16F3N7O.C21H16F3N7O2/c24-12-5-3-7-14-16(12)21(33-31-14)30-19-10-4-1-2-6-13(10)28-20(29-19)11-8-9-15-17(22(35)34-32-15)18(11)23(25,26)27;24-23(25,26)18-13(9-10-16-17(18)22(34)33-31-16)20-27-14-7-3-1-5-11(14)19(28-20)29-21-12-6-2-4-8-15(12)30-32-21;23-22(24,25)18-12(7-8-14-17(18)21(33)32-29-14)20-26-13-4-2-1-3-11(13)19(28-20)27-16-9-15(30-31-16)10-5-6-10;1-33-9-10-8-15(30-28-10)26-18-11-4-2-3-5-13(11)25-19(27-18)12-6-7-14-16(20(32)31-29-14)17(12)21(22,23)24/h1-9H,(H2,32,34,35)(H2,28,29,30,31,33);1,3,5,7,9-10H,2,4,6,8H2,(H2,31,33,34)(H2,27,28,29,30,32);1-4,7-10H,5-6H2,(H2,29,32,33)(H2,26,27,28,30,31);2-8H,9H2,1H3,(H2,29,31,32)(H2,25,26,27,28,30)
InChIKeyUHCGCKKJGHOFLU-UHFFFAOYSA-N
MW1868.10 g/mol
LogP19.52
Rot. Bonds15

About 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 161090441) has the molecular formula C89H63ClF12N28O5 and a molecular weight of 1868.10 g/mol. Its IUPAC name is 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID161090441
Molecular FormulaC89H63ClF12N28O5
Molecular Weight1868.10 g/mol
Exact Mass1866.50
IUPAC Name5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCOCc1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5c4CCCC5)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cccc(Cl)c45)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C23H13ClF3N7O.C23H18F3N7O.C22H16F3N7O.C21H16F3N7O2/c24-12-5-3-7-14-16(12)21(33-31-14)30-19-10-4-1-2-6-13(10)28-20(29-19)11-8-9-15-17(22(35)34-32-15)18(11)23(25,26)27;24-23(25,26)18-13(9-10-16-17(18)22(34)33-31-16)20-27-14-7-3-1-5-11(14)19(28-20)29-21-12-6-2-4-8-15(12)30-32-21;23-22(24,25)18-12(7-8-14-17(18)21(33)32-29-14)20-26-13-4-2-1-3-11(13)19(28-20)27-16-9-15(30-31-16)10-5-6-10;1-33-9-10-8-15(30-28-10)26-18-11-4-2-3-5-13(11)25-19(27-18)12-6-7-14-16(20(32)31-29-14)17(12)21(22,23)24/h1-9H,(H2,32,34,35)(H2,28,29,30,31,33);1,3,5,7,9-10H,2,4,6,8H2,(H2,31,33,34)(H2,27,28,29,30,32);1-4,7-10H,5-6H2,(H2,29,32,33)(H2,26,27,28,30,31);2-8H,9H2,1H3,(H2,29,31,32)(H2,25,26,27,28,30)
InChIKeyUHCGCKKJGHOFLU-UHFFFAOYSA-N
XLogP19.52
TPSA469.79 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001868.10
LogP ≤ 519.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Analyze 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

5-[6-benzyl-4-[(5-fluoro-1H-indazol-3-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157683570
6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 159003681
N-(4-chloro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 160080106
6-chloro-5-[6-(1H-indazol-3-ylamino)-4,5-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 162246582
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(methoxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 161336751
6-[[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[7-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-(2-chlorophenyl)-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 161618196

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 161090441) is 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is COCc1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5c4CCCC5)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cccc(Cl)c45)c4ccccc4n3)c(C(F)(F)F)c12.
What is the InChIKey of 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is UHCGCKKJGHOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF3N7O.C23H18F3N7O.C22H16F3N7O.C21H16F3N7O2/c24-12-5-3-7-14-16(12)21(33-31-14)30-19-10-4-1-2-6-13(10)28-20(29-19)11-8-9-15-17(22(35)34-32-15)18(11)23(25,26)27;24-23(25,26)18-13(9-10-16-17(18)22(34)33-31-16)20-27-14-7-3-1-5-11(14)19(28-20)29-21-12-6-2-4-8-15(12)30-32-21;23-22(24,25)18-12(7-8-14-17(18)21(33)32-29-14)20-26-13-4-2-1-3-11(13)19(28-20)27-16-9-15(30-31-16)10-5-6-10;1-33-9-10-8-15(30-28-10)26-18-11-4-2-3-5-13(11)25-19(27-18)12-6-7-14-16(20(32)31-29-14)17(12)21(22,23)24/h1-9H,(H2,32,34,35)(H2,28,29,30,31,33);1,3,5,7,9-10H,2,4,6,8H2,(H2,31,33,34)(H2,27,28,29,30,32);1-4,7-10H,5-6H2,(H2,29,32,33)(H2,26,27,28,30,31);2-8H,9H2,1H3,(H2,29,31,32)(H2,25,26,27,28,30).
What are the key properties of 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1868.10 g/mol, XLogP of 19.52, 15 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloro-1H-indazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[[5-(methoxymethyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylamino)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 161090441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).