methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

C12H15ClN2O2 — CID 117250140

IUPACmethyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c(C3CC3)nc(Cl)c21
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)8-3-2-6-15-9(8)10(13)14-11(15)7-4-5-7/h7-8H,2-6H2,1H3
InChIKeyKSCHOPUIOYOWPI-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.46
Rot. Bonds2

About methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117250140) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117250140
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namemethyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c(C3CC3)nc(Cl)c21
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)8-3-2-6-15-9(8)10(13)14-11(15)7-4-5-7/h7-8H,2-6H2,1H3
InChIKeyKSCHOPUIOYOWPI-UHFFFAOYSA-N
XLogP2.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249851
methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249542
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249810
1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249572
(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83869664
2-(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)ethanamine
CID 83869662
1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249714
1-chloro-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117250179
methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249654
3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249922
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986
1-chloro-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249610

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117250140) is methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)C1CCCn2c(C3CC3)nc(Cl)c21.
What is the InChIKey of methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is KSCHOPUIOYOWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-12(16)8-3-2-6-15-9(8)10(13)14-11(15)7-4-5-7/h7-8H,2-6H2,1H3.
What are the key properties of methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117250140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).