N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

C83H63F12N25 — CID 158917344

IUPACN-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESCNc1cnc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccccc12.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2cnc[nH]2)n1.N#Cc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C24H23F3N6.C21H14F3N7.C19H15F3N6.C19H11F3N6/c25-24(26,27)17-10-4-1-7-14(17)22-29-20(15-8-2-5-11-18(15)28)13-21(30-22)31-23-16-9-3-6-12-19(16)32-33-23;22-21(23,24)14-7-3-1-5-12(14)19-27-16(17-10-25-11-26-17)9-18(28-19)29-20-13-6-2-4-8-15(13)30-31-20;1-23-15-10-24-16(11-6-2-4-8-13(11)19(20,21)22)25-18(15)26-17-12-7-3-5-9-14(12)27-28-17;20-19(21,22)14-7-3-1-5-12(14)17-24-11(10-23)9-16(25-17)26-18-13-6-2-4-8-15(13)27-28-18/h1,3-4,6-7,9-10,12-13,15,18H,2,5,8,11,28H2,(H2,29,30,31,32,33);1-11H,(H,25,26)(H2,27,28,29,30,31);2-10,23H,1H3,(H2,24,25,26,27,28);1-9H,(H2,24,25,26,27,28)
InChIKeyJHJWNGJQKQQQNS-UHFFFAOYSA-N
MW1638.57 g/mol
LogP20.42
Rot. Bonds15

About N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine

N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (PubChem CID 158917344) has the molecular formula C83H63F12N25 and a molecular weight of 1638.57 g/mol. Its IUPAC name is N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound NameN-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
PubChem CID158917344
Molecular FormulaC83H63F12N25
Molecular Weight1638.57 g/mol
Exact Mass1637.55
IUPAC NameN-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
SMILESCNc1cnc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccccc12.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2cnc[nH]2)n1.N#Cc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C24H23F3N6.C21H14F3N7.C19H15F3N6.C19H11F3N6/c25-24(26,27)17-10-4-1-7-14(17)22-29-20(15-8-2-5-11-18(15)28)13-21(30-22)31-23-16-9-3-6-12-19(16)32-33-23;22-21(23,24)14-7-3-1-5-12(14)19-27-16(17-10-25-11-26-17)9-18(28-19)29-20-13-6-2-4-8-15(13)30-31-20;1-23-15-10-24-16(11-6-2-4-8-13(11)19(20,21)22)25-18(15)26-17-12-7-3-5-9-14(12)27-28-17;20-19(21,22)14-7-3-1-5-12(14)17-24-11(10-23)9-16(25-17)26-18-13-6-2-4-8-15(13)27-28-18/h1,3-4,6-7,9-10,12-13,15,18H,2,5,8,11,28H2,(H2,29,30,31,32,33);1-11H,(H,25,26)(H2,27,28,29,30,31);2-10,23H,1H3,(H2,24,25,26,27,28);1-9H,(H2,24,25,26,27,28)
InChIKeyJHJWNGJQKQQQNS-UHFFFAOYSA-N
XLogP20.42
TPSA356.48 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001638.57
LogP ≤ 520.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine with MolForge

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Related Compounds

3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836542
N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 20626493
7-[4-fluoro-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836855
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2,6-difluorophenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49837200
7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177931
3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177958
7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177962
7-[2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177964
7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177982

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine (CID 158917344) is N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is CNc1cnc(-c2ccccc2C(F)(F)F)nc1Nc1n[nH]c2ccccc12.FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)cc(-c2cnc[nH]2)n1.N#Cc1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.NC1CCCCC1c1cc(Nc2n[nH]c3ccccc23)nc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
The InChIKey is JHJWNGJQKQQQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6.C21H14F3N7.C19H15F3N6.C19H11F3N6/c25-24(26,27)17-10-4-1-7-14(17)22-29-20(15-8-2-5-11-18(15)28)13-21(30-22)31-23-16-9-3-6-12-19(16)32-33-23;22-21(23,24)14-7-3-1-5-12(14)19-27-16(17-10-25-11-26-17)9-18(28-19)29-20-13-6-2-4-8-15(13)30-31-20;1-23-15-10-24-16(11-6-2-4-8-13(11)19(20,21)22)25-18(15)26-17-12-7-3-5-9-14(12)27-28-17;20-19(21,22)14-7-3-1-5-12(14)17-24-11(10-23)9-16(25-17)26-18-13-6-2-4-8-15(13)27-28-18/h1,3-4,6-7,9-10,12-13,15,18H,2,5,8,11,28H2,(H2,29,30,31,32,33);1-11H,(H,25,26)(H2,27,28,29,30,31);2-10,23H,1H3,(H2,24,25,26,27,28);1-9H,(H2,24,25,26,27,28).
What are the key properties of N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine?
N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine has a molecular weight of 1638.57 g/mol, XLogP of 20.42, 15 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminocyclohexyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-[6-(1H-imidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;6-(1H-indazol-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile;4-N-(1H-indazol-3-yl)-5-N-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 158917344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).