methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate

C16H13ClN2O2 — CID 117145255

IUPACmethyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(Cc3ccc(Cl)cc3)ncc2c1
InChIInChI=1S/C16H13ClN2O2/c1-21-16(20)12-6-7-19-14(9-12)10-18-15(19)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3
InChIKeyYYIMLCIEANONQZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.37
Rot. Bonds3

About methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate

methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117145255) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117145255
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Namemethyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(Cc3ccc(Cl)cc3)ncc2c1
InChIInChI=1S/C16H13ClN2O2/c1-21-16(20)12-6-7-19-14(9-12)10-18-15(19)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3
InChIKeyYYIMLCIEANONQZ-UHFFFAOYSA-N
XLogP3.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate
CID 118251575
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
CID 117251796
methyl 3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145291
methyl 3-pyridin-3-ylimidazo[1,5-a]pyridine-7-carboxylate
CID 117145201
methyl 3-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 143687595
methyl 3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145079
2-(7-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 117254363
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
7-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine
CID 117144556
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251812

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate (CID 117145255) is methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(Cc3ccc(Cl)cc3)ncc2c1.
What is the InChIKey of methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is YYIMLCIEANONQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-16(20)12-6-7-19-14(9-12)10-18-15(19)8-11-2-4-13(17)5-3-11/h2-7,9-10H,8H2,1H3.
What are the key properties of methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 300.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117145255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).