1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H19ClN2O — CID 117249038

IUPAC1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(C3CCOCC3)nc(Cl)c2C1
InChIInChI=1S/C13H19ClN2O/c1-9-2-5-16-11(8-9)12(14)15-13(16)10-3-6-17-7-4-10/h9-10H,2-8H2,1H3
InChIKeyKAFWOMBCSRNRQS-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.01
Rot. Bonds1

About 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117249038) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117249038
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCn2c(C3CCOCC3)nc(Cl)c2C1
InChIInChI=1S/C13H19ClN2O/c1-9-2-5-16-11(8-9)12(14)15-13(16)10-3-6-17-7-4-10/h9-10H,2-8H2,1H3
InChIKeyKAFWOMBCSRNRQS-UHFFFAOYSA-N
XLogP3.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-chloro-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117249040
7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151154
1-chloro-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 83869709
1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117249013
3-cyclopropyl-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83837678
2-(1-chloro-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117248887
1-chloro-7-methyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249313
1-chloro-7-methyl-3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249432
1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248968
1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117252272
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248214
1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117248910

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117249038) is 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCn2c(C3CCOCC3)nc(Cl)c2C1.
What is the InChIKey of 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is KAFWOMBCSRNRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-2-5-16-11(8-9)12(14)15-13(16)10-3-6-17-7-4-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 254.76 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methyl-3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117249038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).