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

C23H22F2N4O4 — CID 143922296

IUPAC2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CO)c1)c1cncc2c1NC(c1ccccc1C(F)F)N2
InChIInChI=1S/C23H22F2N4O4/c24-21(25)16-6-1-2-7-17(16)22-28-19-10-26-9-18(20(19)29-22)23(32)27-13-4-3-5-15(8-13)33-12-14(31)11-30/h1-10,14,21-22,28-31H,11-12H2,(H,27,32)
InChIKeyZXVWTYRBKWELMB-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.54
Rot. Bonds8

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

2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 143922296) has the molecular formula C23H22F2N4O4 and a molecular weight of 456.45 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID143922296
Molecular FormulaC23H22F2N4O4
Molecular Weight456.45 g/mol
Exact Mass456.16
IUPAC Name2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CO)c1)c1cncc2c1NC(c1ccccc1C(F)F)N2
InChIInChI=1S/C23H22F2N4O4/c24-21(25)16-6-1-2-7-17(16)22-28-19-10-26-9-18(20(19)29-22)23(32)27-13-4-3-5-15(8-13)33-12-14(31)11-30/h1-10,14,21-22,28-31H,11-12H2,(H,27,32)
InChIKeyZXVWTYRBKWELMB-UHFFFAOYSA-N
XLogP3.54
TPSA115.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide (CID 143922296) is 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide is O=C(Nc1cccc(OCC(O)CO)c1)c1cncc2c1NC(c1ccccc1C(F)F)N2.
What is the InChIKey of 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is ZXVWTYRBKWELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O4/c24-21(25)16-6-1-2-7-17(16)22-28-19-10-26-9-18(20(19)29-22)23(32)27-13-4-3-5-15(8-13)33-12-14(31)11-30/h1-10,14,21-22,28-31H,11-12H2,(H,27,32).
What are the key properties of 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide?
2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 143922296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).