N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C99H77F16N25O2 — CID 157116096

IUPACN-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCN1CCN(c2cccc3c(Nc4n[nH]c5c(F)cccc45)nc(-c4ccccc4C(F)(F)F)nc23)CC1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccc(N5CCOCC5)cc34)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNC4)n[nH]c12
InChIInChI=1S/C27H23F4N7.C26H19F5N6O.C26H21F3N6O.C20H14F4N6/c1-37-12-14-38(15-13-37)21-11-5-8-18-23(21)32-24(16-6-2-3-9-19(16)27(29,30)31)33-25(18)34-26-17-7-4-10-20(28)22(17)35-36-26;27-14-11-18-22(20(28)12-14)35-36-25(18)34-24-17-13-15(37-7-9-38-10-8-37)5-6-21(17)32-23(33-24)16-3-1-2-4-19(16)26(29,30)31;27-26(28,29)19-9-3-1-6-16(19)23-30-22-18(8-5-11-21(22)35-12-14-36-15-13-35)24(31-23)32-25-17-7-2-4-10-20(17)33-34-25;21-14-7-3-5-11-16(14)29-30-19(11)28-18-12-8-25-9-15(12)26-17(27-18)10-4-1-2-6-13(10)20(22,23)24/h2-11H,12-15H2,1H3,(H2,32,33,34,35,36);1-6,11-13H,7-10H2,(H2,32,33,34,35,36);1-11H,12-15H2,(H2,30,31,32,33,34);1-7,25H,8-9H2,(H2,26,27,28,29,30)
InChIKeyAHKPWNJZCDYEKM-UHFFFAOYSA-N
MW1952.85 g/mol
LogP22.17
Rot. Bonds15

About N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 157116096) has the molecular formula C99H77F16N25O2 and a molecular weight of 1952.85 g/mol. Its IUPAC name is N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID157116096
Molecular FormulaC99H77F16N25O2
Molecular Weight1952.85 g/mol
Exact Mass1951.64
IUPAC NameN-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCN1CCN(c2cccc3c(Nc4n[nH]c5c(F)cccc45)nc(-c4ccccc4C(F)(F)F)nc23)CC1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccc(N5CCOCC5)cc34)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNC4)n[nH]c12
InChIInChI=1S/C27H23F4N7.C26H19F5N6O.C26H21F3N6O.C20H14F4N6/c1-37-12-14-38(15-13-37)21-11-5-8-18-23(21)32-24(16-6-2-3-9-19(16)27(29,30)31)33-25(18)34-26-17-7-4-10-20(28)22(17)35-36-26;27-14-11-18-22(20(28)12-14)35-36-25(18)34-24-17-13-15(37-7-9-38-10-8-37)5-6-21(17)32-23(33-24)16-3-1-2-4-19(16)26(29,30)31;27-26(28,29)19-9-3-1-6-16(19)23-30-22-18(8-5-11-21(22)35-12-14-36-15-13-35)24(31-23)32-25-17-7-2-4-10-20(17)33-34-25;21-14-7-3-5-11-16(14)29-30-19(11)28-18-12-8-25-9-15(12)26-17(27-18)10-4-1-2-6-13(10)20(22,23)24/h2-11H,12-15H2,1H3,(H2,32,33,34,35,36);1-6,11-13H,7-10H2,(H2,32,33,34,35,36);1-11H,12-15H2,(H2,30,31,32,33,34);1-7,25H,8-9H2,(H2,26,27,28,29,30)
InChIKeyAHKPWNJZCDYEKM-UHFFFAOYSA-N
XLogP22.17
TPSA309.41 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.85
LogP ≤ 522.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 20626379
N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 20626445
2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine
CID 70839644
4-[3-[5,7-difluoro-8-[[3-[1-(8-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1H-1,2,4-triazol-5-yl]methyl]quinolin-4-yl]-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134382020
4-[3-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]-3-(trifluoromethyl)indazol-5-yl]-6-[[7-[3-[[1-(trifluoromethyl)isoquinolin-6-yl]amino]-1H-pyrazolo[3,4-b]pyrazin-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinolin-1-yl]morpholin-3-one
CID 137551823
N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)
CID 157260378
CID 157262169
CID 157262169
1-N-cyclobutyl-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-cyclopropyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-N-(2-methoxyethyl)-3-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine
CID 157446494
9-[(3-chloro-4-fluorophenyl)methyl]-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N',N'-dimethyl-N-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethane-1,2-diamine;7-(5-methyl-1H-pyrazol-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]morpholine;3-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]prop-2-yn-1-amine
CID 157468934
3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[(2-phenylquinolin-3-yl)methyl]-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157619872
N-[4-[(dimethylamino)methyl]phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[3-(1-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-morpholin-4-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;1-[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]imidazolidin-2-one;3-methyl-N-(4-pyrimidin-2-ylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 158017945
N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine;N-(5-ethyl-1H-pyrazol-3-yl)-5-imidazol-1-yl-1,2,4-triazin-3-amine;6-N-(1H-indazol-3-yl)-3-N-(2-piperidin-1-ylethyl)-4-[2-(trifluoromethyl)phenyl]pyridazine-3,6-diamine;N-[5-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
CID 158195493

Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 157116096) is N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is CN1CCN(c2cccc3c(Nc4n[nH]c5c(F)cccc45)nc(-c4ccccc4C(F)(F)F)nc23)CC1.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccc(N5CCOCC5)cc34)c2c1.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CNC4)n[nH]c12.
What is the InChIKey of N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is AHKPWNJZCDYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F4N7.C26H19F5N6O.C26H21F3N6O.C20H14F4N6/c1-37-12-14-38(15-13-37)21-11-5-8-18-23(21)32-24(16-6-2-3-9-19(16)27(29,30)31)33-25(18)34-26-17-7-4-10-20(28)22(17)35-36-26;27-14-11-18-22(20(28)12-14)35-36-25(18)34-24-17-13-15(37-7-9-38-10-8-37)5-6-21(17)32-23(33-24)16-3-1-2-4-19(16)26(29,30)31;27-26(28,29)19-9-3-1-6-16(19)23-30-22-18(8-5-11-21(22)35-12-14-36-15-13-35)24(31-23)32-25-17-7-2-4-10-20(17)33-34-25;21-14-7-3-5-11-16(14)29-30-19(11)28-18-12-8-25-9-15(12)26-17(27-18)10-4-1-2-6-13(10)20(22,23)24/h2-11H,12-15H2,1H3,(H2,32,33,34,35,36);1-6,11-13H,7-10H2,(H2,32,33,34,35,36);1-11H,12-15H2,(H2,30,31,32,33,34);1-7,25H,8-9H2,(H2,26,27,28,29,30).
What are the key properties of N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 1952.85 g/mol, XLogP of 22.17, 15 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 157116096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).