6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C25H24F3N11 — CID 145179598

IUPAC6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cc(Nc2nc(Nc3ccn4ccnc4c3)nc(N3CCCCCC3)n2)cc(-n2cncn2)c1
InChIInChI=1S/C25H24F3N11/c26-25(27,28)17-11-19(13-20(12-17)39-16-29-15-31-39)33-23-34-22(32-18-5-9-37-10-6-30-21(37)14-18)35-24(36-23)38-7-3-1-2-4-8-38/h5-6,9-16H,1-4,7-8H2,(H2,32,33,34,35,36)
InChIKeyIZGWLXHVVSAWIY-UHFFFAOYSA-N
MW535.54 g/mol
LogP4.99
Rot. Bonds6

About 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 145179598) has the molecular formula C25H24F3N11 and a molecular weight of 535.54 g/mol. Its IUPAC name is 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID145179598
Molecular FormulaC25H24F3N11
Molecular Weight535.54 g/mol
Exact Mass535.22
IUPAC Name6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cc(Nc2nc(Nc3ccn4ccnc4c3)nc(N3CCCCCC3)n2)cc(-n2cncn2)c1
InChIInChI=1S/C25H24F3N11/c26-25(27,28)17-11-19(13-20(12-17)39-16-29-15-31-39)33-23-34-22(32-18-5-9-37-10-6-30-21(37)14-18)35-24(36-23)38-7-3-1-2-4-8-38/h5-6,9-16H,1-4,7-8H2,(H2,32,33,34,35,36)
InChIKeyIZGWLXHVVSAWIY-UHFFFAOYSA-N
XLogP4.99
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 145179604
6-(aziridin-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145179592
2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine
CID 145179609
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 145179661
3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 145179646
N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
CID 145179634
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 139450142
N-(2-methyl-7-piperidin-1-yl-5H-1,3-diazepin-4-yl)imidazo[1,2-a]pyridin-7-amine;molecular hydrogen
CID 142337025
4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450018
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 145179637
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-3-methylpyrrolidin-3-ol
CID 160975266

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 145179598) is 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cc(Nc2nc(Nc3ccn4ccnc4c3)nc(N3CCCCCC3)n2)cc(-n2cncn2)c1.
What is the InChIKey of 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IZGWLXHVVSAWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N11/c26-25(27,28)17-11-19(13-20(12-17)39-16-29-15-31-39)33-23-34-22(32-18-5-9-37-10-6-30-21(37)14-18)35-24(36-23)38-7-3-1-2-4-8-38/h5-6,9-16H,1-4,7-8H2,(H2,32,33,34,35,36).
What are the key properties of 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 535.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 145179598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).