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

C22H18F3N5O4 — CID 75077737

IUPAC2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccccn1)c1cncc2[nH]c(-c3ccc(OCC(O)CO)cc3C(F)(F)F)nc12
InChIInChI=1S/C22H18F3N5O4/c23-22(24,25)16-7-13(34-11-12(32)10-31)4-5-14(16)20-28-17-9-26-8-15(19(17)30-20)21(33)29-18-3-1-2-6-27-18/h1-9,12,31-32H,10-11H2,(H,28,30)(H,27,29,33)
InChIKeyLBJTUHOLCPPLHB-UHFFFAOYSA-N
MW473.41 g/mol
LogP3.02
Rot. Bonds7

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

2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 75077737) has the molecular formula C22H18F3N5O4 and a molecular weight of 473.41 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID75077737
Molecular FormulaC22H18F3N5O4
Molecular Weight473.41 g/mol
Exact Mass473.13
IUPAC Name2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccccn1)c1cncc2[nH]c(-c3ccc(OCC(O)CO)cc3C(F)(F)F)nc12
InChIInChI=1S/C22H18F3N5O4/c23-22(24,25)16-7-13(34-11-12(32)10-31)4-5-14(16)20-28-17-9-26-8-15(19(17)30-20)21(33)29-18-3-1-2-6-27-18/h1-9,12,31-32H,10-11H2,(H,28,30)(H,27,29,33)
InChIKeyLBJTUHOLCPPLHB-UHFFFAOYSA-N
XLogP3.02
TPSA133.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 76739432
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 44600636
2-[2-(difluoromethyl)-4-(2,3-dihydroxypropoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278956
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279101
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-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279038
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 58278839
2-[4-(2,3-dihydroxypropoxy)-2-methylphenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 76739455
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide (CID 75077737) is 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-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-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide is O=C(Nc1ccccn1)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-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is LBJTUHOLCPPLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4/c23-22(24,25)16-7-13(34-11-12(32)10-31)4-5-14(16)20-28-17-9-26-8-15(19(17)30-20)21(33)29-18-3-1-2-6-27-18/h1-9,12,31-32H,10-11H2,(H,28,30)(H,27,29,33).
What are the key properties of 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide?
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 473.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-3H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 75077737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).