2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide

C20H16F3N5O4S — CID 76739432

IUPAC2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESO=C(Nc1nccs1)c1cncc2[nH]c(-c3ccc(OCC(O)CO)cc3C(F)(F)F)nc12
InChIInChI=1S/C20H16F3N5O4S/c21-20(22,23)14-5-11(32-9-10(30)8-29)1-2-12(14)17-26-15-7-24-6-13(16(15)27-17)18(31)28-19-25-3-4-33-19/h1-7,10,29-30H,8-9H2,(H,26,27)(H,25,28,31)
InChIKeyWVSNGQBTBUYGQP-UHFFFAOYSA-N
MW479.44 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide

2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 76739432) has the molecular formula C20H16F3N5O4S and a molecular weight of 479.44 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID76739432
Molecular FormulaC20H16F3N5O4S
Molecular Weight479.44 g/mol
Exact Mass479.09
IUPAC Name2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESO=C(Nc1nccs1)c1cncc2[nH]c(-c3ccc(OCC(O)CO)cc3C(F)(F)F)nc12
InChIInChI=1S/C20H16F3N5O4S/c21-20(22,23)14-5-11(32-9-10(30)8-29)1-2-12(14)17-26-15-7-24-6-13(16(15)27-17)18(31)28-19-25-3-4-33-19/h1-7,10,29-30H,8-9H2,(H,26,27)(H,25,28,31)
InChIKeyWVSNGQBTBUYGQP-UHFFFAOYSA-N
XLogP3.08
TPSA133.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 75077737
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 44600636
2-[4-(2,3-dihydroxypropoxy)-2-methylphenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 76739455
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279101
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279141
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[2-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279310
2-[2-(difluoromethyl)-4-(2,3-dihydroxypropoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278956
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278843
2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide (CID 76739432) is 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide is O=C(Nc1nccs1)c1cncc2[nH]c(-c3ccc(OCC(O)CO)cc3C(F)(F)F)nc12.
What is the InChIKey of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is WVSNGQBTBUYGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O4S/c21-20(22,23)14-5-11(32-9-10(30)8-29)1-2-12(14)17-26-15-7-24-6-13(16(15)27-17)18(31)28-19-25-3-4-33-19/h1-7,10,29-30H,8-9H2,(H,26,27)(H,25,28,31).
What are the key properties of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide?
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 479.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 76739432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).