5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile

C38H26F6N12 — CID 159816152

IUPAC5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
SMILESN#Cc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.NCc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H15F3N6.C19H11F3N6/c2*20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(13-5-14(24)9-25-8-13)4-12(7-23)15(16)10-26-28/h1-6,8-10H,7,23-24H2;1-6,8-10H,24H2
InChIKeyNLQKRMZCCWMJOR-UHFFFAOYSA-N
MW764.70 g/mol
LogP7.50
Rot. Bonds5

About 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile

5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile (PubChem CID 159816152) has the molecular formula C38H26F6N12 and a molecular weight of 764.70 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
PubChem CID159816152
Molecular FormulaC38H26F6N12
Molecular Weight764.70 g/mol
Exact Mass764.23
IUPAC Name5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
SMILESN#Cc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.NCc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H15F3N6.C19H11F3N6/c2*20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(13-5-14(24)9-25-8-13)4-12(7-23)15(16)10-26-28/h1-6,8-10H,7,23-24H2;1-6,8-10H,24H2
InChIKeyNLQKRMZCCWMJOR-UHFFFAOYSA-N
XLogP7.50
TPSA189.05 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.70
LogP ≤ 57.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile 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

1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
N-ethyl-6-fluoro-3-[2-(piperidin-4-ylamino)pyrimidin-5-yl]-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146596286
5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
CID 146596744
N-ethyl-6-fluoro-3-(2-piperazin-1-ylpyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646640
5-[4-[3-(difluoromethyl)pyrazol-1-yl]-8-(ethylamino)-6-fluoro-9H-pyrido[2,3-b]indol-3-yl]pyridine-3-carbonitrile
CID 146597403
2,4-diamino-6-[[(1S)-1-[1-pyridin-3-yl-6-(trifluoromethyl)indazol-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 148951751
US11390624, Example 31
CID 154666325
US11390624, Example 39
CID 154666412
(3S)-1-[6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine
CID 72714478
(3S)-1-[3-(difluoromethyl)-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]piperidin-3-amine
CID 72714482
1-[6-(4,4-Difluoro-3-piperidyl)-2-pyridyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
CID 72714764
6-[1-[6-(1-Piperazinyl)-2-pyridinyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]-2-pyrazinecarbonitrile
CID 72715617

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
The IUPAC name of 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile (CID 159816152) is 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
The canonical SMILES for 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile is N#Cc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.NCc1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
The InChIKey is NLQKRMZCCWMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6.C19H11F3N6/c2*20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(13-5-14(24)9-25-8-13)4-12(7-23)15(16)10-26-28/h1-6,8-10H,7,23-24H2;1-6,8-10H,24H2.
What are the key properties of 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile?
5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile has a molecular weight of 764.70 g/mol, XLogP of 7.50, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile is sourced from PubChem (CID 159816152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).