5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

C104H72F12N28O4 — CID 159875827

IUPAC5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCC(C)(C)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4[nH]ncc4-c4ccccc4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(-c5ccccc5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c(-c5ccccc5)c4-c4ccccc4)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C31H20F3N7O.2C25H16F3N7O.C23H20F3N7O/c32-31(33,34)25-20(15-16-22-24(25)30(42)41-38-22)28-35-21-14-8-7-13-19(21)27(36-28)37-29-23(17-9-3-1-4-10-17)26(39-40-29)18-11-5-2-6-12-18;26-25(27,28)20-15(10-11-18-19(20)24(36)35-33-18)22-30-17-9-5-4-8-14(17)21(31-22)32-23-16(12-29-34-23)13-6-2-1-3-7-13;26-25(27,28)21-15(10-11-17-20(21)24(36)35-32-17)23-29-16-9-5-4-8-14(16)22(31-23)30-19-12-18(33-34-19)13-6-2-1-3-7-13;1-22(2,3)15-10-16(32-31-15)28-19-11-6-4-5-7-13(11)27-20(29-19)12-8-9-14-17(21(34)33-30-14)18(12)23(24,25)26/h1-16H,(H2,38,41,42)(H2,35,36,37,39,40);1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-12H,(H2,32,35,36)(H2,29,30,31,33,34);4-10H,1-3H3,(H2,30,33,34)(H2,27,28,29,31,32)
InChIKeyNSWWNKIIFUUCEW-UHFFFAOYSA-N
MW2005.89 g/mol
LogP23.77
Rot. Bonds16

About 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 159875827) has the molecular formula C104H72F12N28O4 and a molecular weight of 2005.89 g/mol. Its IUPAC name is 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID159875827
Molecular FormulaC104H72F12N28O4
Molecular Weight2005.89 g/mol
Exact Mass2004.61
IUPAC Name5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESCC(C)(C)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4[nH]ncc4-c4ccccc4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(-c5ccccc5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c(-c5ccccc5)c4-c4ccccc4)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C31H20F3N7O.2C25H16F3N7O.C23H20F3N7O/c32-31(33,34)25-20(15-16-22-24(25)30(42)41-38-22)28-35-21-14-8-7-13-19(21)27(36-28)37-29-23(17-9-3-1-4-10-17)26(39-40-29)18-11-5-2-6-12-18;26-25(27,28)20-15(10-11-18-19(20)24(36)35-33-18)22-30-17-9-5-4-8-14(17)21(31-22)32-23-16(12-29-34-23)13-6-2-1-3-7-13;26-25(27,28)21-15(10-11-17-20(21)24(36)35-32-17)23-29-16-9-5-4-8-14(16)22(31-23)30-19-12-18(33-34-19)13-6-2-1-3-7-13;1-22(2,3)15-10-16(32-31-15)28-19-11-6-4-5-7-13(11)27-20(29-19)12-8-9-14-17(21(34)33-30-14)18(12)23(24,25)26/h1-16H,(H2,38,41,42)(H2,35,36,37,39,40);1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-12H,(H2,32,35,36)(H2,29,30,31,33,34);4-10H,1-3H3,(H2,30,33,34)(H2,27,28,29,31,32)
InChIKeyNSWWNKIIFUUCEW-UHFFFAOYSA-N
XLogP23.77
TPSA460.56 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002005.89
LogP ≤ 523.77
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-[4-(1H-indazol-3-ylamino)-1,8-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935759
5-[4-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935771
5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935773
5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935790
5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935906
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
CID 58935943
5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58935952
5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936005
5-[5-benzyl-4-(1H-indazol-3-ylamino)-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936046
5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936047
5-[2-amino-5-(1H-indazol-3-ylamino)pyrimido[4,5-d]pyrimidin-7-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 58936049
4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one
CID 58936103

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 159875827) is 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is CC(C)(C)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc3ccccc23)n[nH]1.O=c1[nH][nH]c2ccc(-c3nc(Nc4[nH]ncc4-c4ccccc4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4cc(-c5ccccc5)[nH]n4)c4ccccc4n3)c(C(F)(F)F)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c(-c5ccccc5)c4-c4ccccc4)c4ccccc4n3)c(C(F)(F)F)c12.
What is the InChIKey of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is NSWWNKIIFUUCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F3N7O.2C25H16F3N7O.C23H20F3N7O/c32-31(33,34)25-20(15-16-22-24(25)30(42)41-38-22)28-35-21-14-8-7-13-19(21)27(36-28)37-29-23(17-9-3-1-4-10-17)26(39-40-29)18-11-5-2-6-12-18;26-25(27,28)20-15(10-11-18-19(20)24(36)35-33-18)22-30-17-9-5-4-8-14(17)21(31-22)32-23-16(12-29-34-23)13-6-2-1-3-7-13;26-25(27,28)21-15(10-11-17-20(21)24(36)35-32-17)23-29-16-9-5-4-8-14(16)22(31-23)30-19-12-18(33-34-19)13-6-2-1-3-7-13;1-22(2,3)15-10-16(32-31-15)28-19-11-6-4-5-7-13(11)27-20(29-19)12-8-9-14-17(21(34)33-30-14)18(12)23(24,25)26/h1-16H,(H2,38,41,42)(H2,35,36,37,39,40);1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-12H,(H2,32,35,36)(H2,29,30,31,33,34);4-10H,1-3H3,(H2,30,33,34)(H2,27,28,29,31,32).
What are the key properties of 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 2005.89 g/mol, XLogP of 23.77, 16 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4,5-diphenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(4-phenyl-1H-pyrazol-5-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159875827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).