3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C17H16ClN5O2 — CID 77082343

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCc2nc(-c3cccnc3)[nH]c2C1
InChIInChI=1S/C17H16ClN5O2/c18-15-8-12(25-22-15)3-4-16(24)23-7-5-13-14(10-23)21-17(20-13)11-2-1-6-19-9-11/h1-2,6,8-9H,3-5,7,10H2,(H,20,21)
InChIKeyFYOHXKBPAGZORO-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.63
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 77082343) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID77082343
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1cc(Cl)no1)N1CCc2nc(-c3cccnc3)[nH]c2C1
InChIInChI=1S/C17H16ClN5O2/c18-15-8-12(25-22-15)3-4-16(24)23-7-5-13-14(10-23)21-17(20-13)11-2-1-6-19-9-11/h1-2,6,8-9H,3-5,7,10H2,(H,20,21)
InChIKeyFYOHXKBPAGZORO-UHFFFAOYSA-N
XLogP2.63
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one with MolForge

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Related Compounds

1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)hex-3-en-1-one
CID 171134948
pyridin-4-yl-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 77085984
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72910183
12-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-5-phenyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 87052515
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 72840213
(4R)-1-(2-methoxyethyl)-4-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 99933985
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
CID 72843643
[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 91793391
7-[2-(2-chloro-6-fluorophenyl)acetyl]-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167047
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 77082343) is 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is O=C(CCc1cc(Cl)no1)N1CCc2nc(-c3cccnc3)[nH]c2C1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is FYOHXKBPAGZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c18-15-8-12(25-22-15)3-4-16(24)23-7-5-13-14(10-23)21-17(20-13)11-2-1-6-19-9-11/h1-2,6,8-9H,3-5,7,10H2,(H,20,21).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 357.80 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 77082343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).