(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C22H16ClF3N6O3 — CID 26745044

IUPAC(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C22H16ClF3N6O3/c23-13-3-5-14(6-4-13)29-21(33)32-10-17-16(27-11-28-17)9-18(32)20-30-19(31-35-20)12-1-7-15(8-2-12)34-22(24,25)26/h1-8,11,18H,9-10H2,(H,27,28)(H,29,33)/t18-/m0/s1
InChIKeyXCSSUVPLDQCOJR-SFHVURJKSA-N
MW504.86 g/mol
LogP5.34
Rot. Bonds4

About (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 26745044) has the molecular formula C22H16ClF3N6O3 and a molecular weight of 504.86 g/mol. Its IUPAC name is (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID26745044
Molecular FormulaC22H16ClF3N6O3
Molecular Weight504.86 g/mol
Exact Mass504.09
IUPAC Name(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C22H16ClF3N6O3/c23-13-3-5-14(6-4-13)29-21(33)32-10-17-16(27-11-28-17)9-18(32)20-30-19(31-35-20)12-1-7-15(8-2-12)34-22(24,25)26/h1-8,11,18H,9-10H2,(H,27,28)(H,29,33)/t18-/m0/s1
InChIKeyXCSSUVPLDQCOJR-SFHVURJKSA-N
XLogP5.34
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 26745044) is (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is XCSSUVPLDQCOJR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H16ClF3N6O3/c23-13-3-5-14(6-4-13)29-21(33)32-10-17-16(27-11-28-17)9-18(32)20-30-19(31-35-20)12-1-7-15(8-2-12)34-22(24,25)26/h1-8,11,18H,9-10H2,(H,27,28)(H,29,33)/t18-/m0/s1.
What are the key properties of (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 504.86 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 26745044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).