6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C96H73F20N21 — CID 159786775

IUPAC6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CN(Cc3ccccc3)CC4)c2c1
InChIInChI=1S/C28H22F4N6.C23H17F6N5.C23H18F5N5.C22H16F5N5/c29-18-10-11-24-20(14-18)27(37-36-24)35-26-21-16-38(15-17-6-2-1-3-7-17)13-12-23(21)33-25(34-26)19-8-4-5-9-22(19)28(30,31)32;24-22(25,26)12-9-10-18-15(11-12)21(34-33-18)32-20-14-6-2-4-8-17(14)30-19(31-20)13-5-1-3-7-16(13)23(27,28)29;24-12-10-15-19(17(25)11-12)32-33-22(15)31-21-14-7-2-1-3-9-18(14)29-20(30-21)13-6-4-5-8-16(13)23(26,27)28;23-11-9-14-18(16(24)10-11)31-32-21(14)30-20-13-6-2-4-8-17(13)28-19(29-20)12-5-1-3-7-15(12)22(25,26)27/h1-11,14H,12-13,15-16H2,(H2,33,34,35,36,37);1,3,5,7,9-11H,2,4,6,8H2,(H2,30,31,32,33,34);4-6,8,10-11H,1-3,7,9H2,(H2,29,30,31,32,33);1,3,5,7,9-10H,2,4,6,8H2,(H2,28,29,30,31,32)
InChIKeyNIAXNJGSPULBFB-UHFFFAOYSA-N
MW1900.75 g/mol
LogP25.43
Rot. Bonds14

About 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 159786775) has the molecular formula C96H73F20N21 and a molecular weight of 1900.75 g/mol. Its IUPAC name is 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID159786775
Molecular FormulaC96H73F20N21
Molecular Weight1900.75 g/mol
Exact Mass1899.60
IUPAC Name6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CN(Cc3ccccc3)CC4)c2c1
InChIInChI=1S/C28H22F4N6.C23H17F6N5.C23H18F5N5.C22H16F5N5/c29-18-10-11-24-20(14-18)27(37-36-24)35-26-21-16-38(15-17-6-2-1-3-7-17)13-12-23(21)33-25(34-26)19-8-4-5-9-22(19)28(30,31)32;24-22(25,26)12-9-10-18-15(11-12)21(34-33-18)32-20-14-6-2-4-8-17(14)30-19(31-20)13-5-1-3-7-16(13)23(27,28)29;24-12-10-15-19(17(25)11-12)32-33-22(15)31-21-14-7-2-1-3-9-18(14)29-20(30-21)13-6-4-5-8-16(13)23(26,27)28;23-11-9-14-18(16(24)10-11)31-32-21(14)30-20-13-6-2-4-8-17(13)28-19(29-20)12-5-1-3-7-15(12)22(25,26)27/h1-11,14H,12-13,15-16H2,(H2,33,34,35,36,37);1,3,5,7,9-11H,2,4,6,8H2,(H2,30,31,32,33,34);4-6,8,10-11H,1-3,7,9H2,(H2,29,30,31,32,33);1,3,5,7,9-10H,2,4,6,8H2,(H2,28,29,30,31,32)
InChIKeyNIAXNJGSPULBFB-UHFFFAOYSA-N
XLogP25.43
TPSA269.20 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.75
LogP ≤ 525.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-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

3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 10205869
6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 10208091
7-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 10279551
N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10299066
7-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 21939259
N-(4-pyrrolidin-1-yl-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 59065218
6-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 60028952
7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 68666305
3-(1H-indazol-4-yl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 90705844
7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 91339878
2-(3,5-dimethyl-2H-indazol-4-yl)-4-(3-methylpiperidin-1-yl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129113067

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 159786775) is 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is FC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCC4)c2c1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CCCCC4)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4c3CN(Cc3ccccc3)CC4)c2c1.
What is the InChIKey of 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is NIAXNJGSPULBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N6.C23H17F6N5.C23H18F5N5.C22H16F5N5/c29-18-10-11-24-20(14-18)27(37-36-24)35-26-21-16-38(15-17-6-2-1-3-7-17)13-12-23(21)33-25(34-26)19-8-4-5-9-22(19)28(30,31)32;24-22(25,26)12-9-10-18-15(11-12)21(34-33-18)32-20-14-6-2-4-8-17(14)30-19(31-20)13-5-1-3-7-16(13)23(27,28)29;24-12-10-15-19(17(25)11-12)32-33-22(15)31-21-14-7-2-1-3-9-18(14)29-20(30-21)13-6-4-5-8-16(13)23(26,27)28;23-11-9-14-18(16(24)10-11)31-32-21(14)30-20-13-6-2-4-8-17(13)28-19(29-20)12-5-1-3-7-15(12)22(25,26)27/h1-11,14H,12-13,15-16H2,(H2,33,34,35,36,37);1,3,5,7,9-11H,2,4,6,8H2,(H2,30,31,32,33,34);4-6,8,10-11H,1-3,7,9H2,(H2,29,30,31,32,33);1,3,5,7,9-10H,2,4,6,8H2,(H2,28,29,30,31,32).
What are the key properties of 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 1900.75 g/mol, XLogP of 25.43, 14 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;N-[5-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 159786775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).