N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine

C79H55F15N24S3 — CID 161493767

IUPACN-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)nc1C1CCC(N)CC1.Cc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnsc23)n[nH]1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4sncc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4cnsc34)c2c1
InChIInChI=1S/C25H25F3N6.C19H9F5N6S.C19H10F4N6S.C16H11F3N6S/c1-14-21(15-10-12-16(29)13-11-15)30-23(17-6-2-4-8-19(17)25(26,27)28)31-22(14)32-24-18-7-3-5-9-20(18)33-34-24;20-8-5-10-14(13(21)6-8)29-30-17(10)27-16-11-7-25-31-18(11)28-15(26-16)9-3-1-2-4-12(9)19(22,23)24;20-9-5-6-13-11(7-9)17(29-28-13)27-18-15-14(8-24-30-15)25-16(26-18)10-3-1-2-4-12(10)19(21,22)23;1-8-6-12(25-24-8)22-15-13-11(7-20-26-13)21-14(23-15)9-4-2-3-5-10(9)16(17,18)19/h2-9,15-16H,10-13,29H2,1H3,(H2,30,31,32,33,34);1-7H,(H2,26,27,28,29,30);1-8H,(H2,25,26,27,28,29);2-7H,1H3,(H2,21,22,23,24,25)
InChIKeyWFXZPAAZGOENEP-UHFFFAOYSA-N
MW1721.65 g/mol
LogP21.82
Rot. Bonds13

About N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine

N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine (PubChem CID 161493767) has the molecular formula C79H55F15N24S3 and a molecular weight of 1721.65 g/mol. Its IUPAC name is N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
PubChem CID161493767
Molecular FormulaC79H55F15N24S3
Molecular Weight1721.65 g/mol
Exact Mass1720.40
IUPAC NameN-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
SMILESCc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)nc1C1CCC(N)CC1.Cc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnsc23)n[nH]1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4sncc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4cnsc34)c2c1
InChIInChI=1S/C25H25F3N6.C19H9F5N6S.C19H10F4N6S.C16H11F3N6S/c1-14-21(15-10-12-16(29)13-11-15)30-23(17-6-2-4-8-19(17)25(26,27)28)31-22(14)32-24-18-7-3-5-9-20(18)33-34-24;20-8-5-10-14(13(21)6-8)29-30-17(10)27-16-11-7-25-31-18(11)28-15(26-16)9-3-1-2-4-12(9)19(22,23)24;20-9-5-6-13-11(7-9)17(29-28-13)27-18-15-14(8-24-30-15)25-16(26-18)10-3-1-2-4-12(10)19(21,22)23;1-8-6-12(25-24-8)22-15-13-11(7-20-26-13)21-14(23-15)9-4-2-3-5-10(9)16(17,18)19/h2-9,15-16H,10-13,29H2,1H3,(H2,30,31,32,33,34);1-7H,(H2,26,27,28,29,30);1-8H,(H2,25,26,27,28,29);2-7H,1H3,(H2,21,22,23,24,25)
InChIKeyWFXZPAAZGOENEP-UHFFFAOYSA-N
XLogP21.82
TPSA330.65 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001721.65
LogP ≤ 521.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-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

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine (CID 161493767) is N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine is Cc1c(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)nc1C1CCC(N)CC1.Cc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3cnsc23)n[nH]1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4sncc34)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4cnsc34)c2c1.
What is the InChIKey of N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WFXZPAAZGOENEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6.C19H9F5N6S.C19H10F4N6S.C16H11F3N6S/c1-14-21(15-10-12-16(29)13-11-15)30-23(17-6-2-4-8-19(17)25(26,27)28)31-22(14)32-24-18-7-3-5-9-20(18)33-34-24;20-8-5-10-14(13(21)6-8)29-30-17(10)27-16-11-7-25-31-18(11)28-15(26-16)9-3-1-2-4-12(9)19(22,23)24;20-9-5-6-13-11(7-9)17(29-28-13)27-18-15-14(8-24-30-15)25-16(26-18)10-3-1-2-4-12(10)19(21,22)23;1-8-6-12(25-24-8)22-15-13-11(7-20-26-13)21-14(23-15)9-4-2-3-5-10(9)16(17,18)19/h2-9,15-16H,10-13,29H2,1H3,(H2,30,31,32,33,34);1-7H,(H2,26,27,28,29,30);1-8H,(H2,25,26,27,28,29);2-7H,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine?
N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 1721.65 g/mol, XLogP of 21.82, 13 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminocyclohexyl)-5-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-6-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 161493767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).