(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

C20H17N7O2 — CID 26745091

IUPAC(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
SMILESO=C(Nc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H17N7O2/c28-20(24-14-4-2-1-3-5-14)27-11-16-15(22-12-23-16)10-17(27)19-25-18(26-29-19)13-6-8-21-9-7-13/h1-9,12,17H,10-11H2,(H,22,23)(H,24,28)/t17-/m0/s1
InChIKeyBYEMTQOCNZCLMG-KRWDZBQOSA-N
MW387.40 g/mol
LogP3.19
Rot. Bonds3

About (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

(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 (PubChem CID 26745091) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID26745091
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name(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
SMILESO=C(Nc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H17N7O2/c28-20(24-14-4-2-1-3-5-14)27-11-16-15(22-12-23-16)10-17(27)19-25-18(26-29-19)13-6-8-21-9-7-13/h1-9,12,17H,10-11H2,(H,22,23)(H,24,28)/t17-/m0/s1
InChIKeyBYEMTQOCNZCLMG-KRWDZBQOSA-N
XLogP3.19
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745062
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-cyanophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745066
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-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
(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)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 26745126
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 74507745
(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507740
(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
cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507741

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccncc2)no1.
What is the InChIKey of (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?
The InChIKey is BYEMTQOCNZCLMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17N7O2/c28-20(24-14-4-2-1-3-5-14)27-11-16-15(22-12-23-16)10-17(27)19-25-18(26-29-19)13-6-8-21-9-7-13/h1-9,12,17H,10-11H2,(H,22,23)(H,24,28)/t17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 387.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 26745091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).