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

C22H16ClN7O2 — CID 26745066

IUPAC(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C22H16ClN7O2/c23-15-6-4-14(5-7-15)20-28-21(32-29-20)19-9-17-18(26-12-25-17)11-30(19)22(31)27-16-3-1-2-13(8-16)10-24/h1-8,12,19H,9,11H2,(H,25,26)(H,27,31)/t19-/m0/s1
InChIKeyKKQXOUIQASABKM-IBGZPJMESA-N
MW445.87 g/mol
LogP4.32
Rot. Bonds3

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

(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 26745066) has the molecular formula C22H16ClN7O2 and a molecular weight of 445.87 g/mol. Its IUPAC name is (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID26745066
Molecular FormulaC22H16ClN7O2
Molecular Weight445.87 g/mol
Exact Mass445.11
IUPAC Name(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C22H16ClN7O2/c23-15-6-4-14(5-7-15)20-28-21(32-29-20)19-9-17-18(26-12-25-17)11-30(19)22(31)27-16-3-1-2-13(8-16)10-24/h1-8,12,19H,9,11H2,(H,25,26)(H,27,31)/t19-/m0/s1
InChIKeyKKQXOUIQASABKM-IBGZPJMESA-N
XLogP4.32
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507689
(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745062
(6S)-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26761982
(6S)-N-phenyl-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745091
N-(3-fluorophenyl)-6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507729
N-(4-methylphenyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507714
(6S)-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 28961098
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(6S)-N-benzyl-6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26761979
N-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
5-[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 26745059

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 26745066) is (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is N#Cc1cccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)c1.
What is the InChIKey of (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is KKQXOUIQASABKM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H16ClN7O2/c23-15-6-4-14(5-7-15)20-28-21(32-29-20)19-9-17-18(26-12-25-17)11-30(19)22(31)27-16-3-1-2-13(8-16)10-24/h1-8,12,19H,9,11H2,(H,25,26)(H,27,31)/t19-/m0/s1.
What are the key properties of (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 445.87 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 26745066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).