7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C23H20F3N9O — CID 134455547

IUPAC7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3nc(C)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C23H20F3N9O/c1-12-29-19-15(31-14-7-4-6-13(20(14)36-3)22-27-11-28-35(22)2)10-18(34-21(19)30-12)33-17-9-5-8-16(32-17)23(24,25)26/h4-11H,1-3H3,(H3,29,30,31,32,33,34)
InChIKeyVSBLENQLCLKGQK-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.97
Rot. Bonds6

About 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455547) has the molecular formula C23H20F3N9O and a molecular weight of 495.47 g/mol. Its IUPAC name is 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455547
Molecular FormulaC23H20F3N9O
Molecular Weight495.47 g/mol
Exact Mass495.17
IUPAC Name7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3nc(C)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C23H20F3N9O/c1-12-29-19-15(31-14-7-4-6-13(20(14)36-3)22-27-11-28-35(22)2)10-18(34-21(19)30-12)33-17-9-5-8-16(32-17)23(24,25)26/h4-11H,1-3H3,(H3,29,30,31,32,33,34)
InChIKeyVSBLENQLCLKGQK-UHFFFAOYSA-N
XLogP4.97
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455547) is 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3nc(C)[nH]c23)cccc1-c1ncnn1C.
What is the InChIKey of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is VSBLENQLCLKGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N9O/c1-12-29-19-15(31-14-7-4-6-13(20(14)36-3)22-27-11-28-35(22)2)10-18(34-21(19)30-12)33-17-9-5-8-16(32-17)23(24,25)26/h4-11H,1-3H3,(H3,29,30,31,32,33,34).
What are the key properties of 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 495.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).