4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile

C18H10F3N5O — CID 154690999

IUPAC4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile
SMILESCn1c(-c2ncc3cc(C#N)ccc3c2O)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C18H10F3N5O/c1-26-16-13(5-11(8-24-16)18(19,20)21)25-17(26)14-15(27)12-3-2-9(6-22)4-10(12)7-23-14/h2-5,7-8,27H,1H3
InChIKeyRVZJARPDHVTTBY-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.78
Rot. Bonds1

About 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile

4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile (PubChem CID 154690999) has the molecular formula C18H10F3N5O and a molecular weight of 369.31 g/mol. Its IUPAC name is 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile
PubChem CID154690999
Molecular FormulaC18H10F3N5O
Molecular Weight369.31 g/mol
Exact Mass369.08
IUPAC Name4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile
SMILESCn1c(-c2ncc3cc(C#N)ccc3c2O)nc2cc(C(F)(F)F)cnc21
InChIInChI=1S/C18H10F3N5O/c1-26-16-13(5-11(8-24-16)18(19,20)21)25-17(26)14-15(27)12-3-2-9(6-22)4-10(12)7-23-14/h2-5,7-8,27H,1H3
InChIKeyRVZJARPDHVTTBY-UHFFFAOYSA-N
XLogP3.78
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Hydroxy-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 168282182
US10201546, Example 226b
CID 138805896
US10201546, Example 226c
CID 138805897
2-[3-[2-[3-(Trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 135925088
3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]imidazo[1,2-a]pyridin-8-ol
CID 172171879
5-(1H-imidazol-1-ylmethyl)-7-[(4-methyl-1-piperidinyl)methyl]-8-quinolinol
CID 4558220
4-[8-[4-(Dimethylamino)piperidin-1-yl]-5-(5-hydroxy-6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645953
2-[3-(Trifluoromethyl)phenyl]-1,8-naphthyridin-3-ol
CID 172436162
6-[2-(Trifluoromethyl)phenyl]benzimidazolo[1,2-a][1,8]naphthyridin-10-ol
CID 178323405
2-Phenylpyrido[1,2-a]benzimidazol-4-ol
CID 384461
2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol
CID 384462
6-[3-Chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline
CID 45280304

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile?
The IUPAC name of 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile (CID 154690999) is 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile.
What is the SMILES notation for 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile?
The canonical SMILES for 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile is Cn1c(-c2ncc3cc(C#N)ccc3c2O)nc2cc(C(F)(F)F)cnc21.
What is the InChIKey of 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile?
The InChIKey is RVZJARPDHVTTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O/c1-26-16-13(5-11(8-24-16)18(19,20)21)25-17(26)14-15(27)12-3-2-9(6-22)4-10(12)7-23-14/h2-5,7-8,27H,1H3.
What are the key properties of 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile?
4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile has a molecular weight of 369.31 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline-7-carbonitrile is sourced from PubChem (CID 154690999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).