[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C20H22N4O2S — CID 164688020

IUPAC[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2Cc3[nH]cnc3C(c3ccc(OC)cc3)C2)cs1
InChIInChI=1S/C20H22N4O2S/c1-3-4-18-23-17(11-27-18)20(25)24-9-15(19-16(10-24)21-12-22-19)13-5-7-14(26-2)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeySMOKPTOEYSRBRA-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.62
Rot. Bonds5

About [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 164688020) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID164688020
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2Cc3[nH]cnc3C(c3ccc(OC)cc3)C2)cs1
InChIInChI=1S/C20H22N4O2S/c1-3-4-18-23-17(11-27-18)20(25)24-9-15(19-16(10-24)21-12-22-19)13-5-7-14(26-2)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeySMOKPTOEYSRBRA-UHFFFAOYSA-N
XLogP3.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 164700123
(3-hydroxy-2-pyridinyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427122
(3-fluoro-5-methylphenyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427708
1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165418997
[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165417713
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72920928
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218
[2-(3-methoxyphenyl)azetidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 74243587
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72862783
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772
1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999

Frequently Asked Questions

What is the IUPAC name of [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 164688020) is [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2Cc3[nH]cnc3C(c3ccc(OC)cc3)C2)cs1.
What is the InChIKey of [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is SMOKPTOEYSRBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-4-18-23-17(11-27-18)20(25)24-9-15(19-16(10-24)21-12-22-19)13-5-7-14(26-2)8-6-13/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,21,22).
What are the key properties of [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 382.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 164688020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).