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

C22H22N6O3 — CID 46978828

IUPAC[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCc4[nH]cnc4C3c3ccc(OC)cc3)no2)cn1
InChIInChI=1S/C22H22N6O3/c1-3-27-12-15(11-25-27)19-10-18(26-31-19)22(29)28-9-8-17-20(24-13-23-17)21(28)14-4-6-16(30-2)7-5-14/h4-7,10-13,21H,3,8-9H2,1-2H3,(H,23,24)
InChIKeyHAKBGPCPVJUKFD-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.08
Rot. Bonds5

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

[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 46978828) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID46978828
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCn1cc(-c2cc(C(=O)N3CCc4[nH]cnc4C3c3ccc(OC)cc3)no2)cn1
InChIInChI=1S/C22H22N6O3/c1-3-27-12-15(11-25-27)19-10-18(26-31-19)22(29)28-9-8-17-20(24-13-23-17)21(28)14-4-6-16(30-2)7-5-14/h4-7,10-13,21H,3,8-9H2,1-2H3,(H,23,24)
InChIKeyHAKBGPCPVJUKFD-UHFFFAOYSA-N
XLogP3.08
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614339
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46979992
[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92588449
[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 92614421
(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551394
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92607565
(2-cyclopropylquinolin-4-yl)-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92614361
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221
(2S)-2-(3-fluorophenoxy)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551386
(2R)-2-(2-fluorophenoxy)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551387

Frequently Asked Questions

What is the IUPAC name of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 46978828) is [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CCn1cc(-c2cc(C(=O)N3CCc4[nH]cnc4C3c3ccc(OC)cc3)no2)cn1.
What is the InChIKey of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HAKBGPCPVJUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-3-27-12-15(11-25-27)19-10-18(26-31-19)22(29)28-9-8-17-20(24-13-23-17)21(28)14-4-6-16(30-2)7-5-14/h4-7,10-13,21H,3,8-9H2,1-2H3,(H,23,24).
What are the key properties of [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 418.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 46978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).