1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C15H22ClN3O2 — CID 117248910

IUPAC1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)N1CCC(c2nc(Cl)c3n2CCC(C(=O)O)C3)C1
InChIInChI=1S/C15H22ClN3O2/c1-9(2)18-5-3-11(8-18)14-17-13(16)12-7-10(15(20)21)4-6-19(12)14/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyYSBUELKYVMMLGL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.38
Rot. Bonds3

About 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117248910) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117248910
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCC(C)N1CCC(c2nc(Cl)c3n2CCC(C(=O)O)C3)C1
InChIInChI=1S/C15H22ClN3O2/c1-9(2)18-5-3-11(8-18)14-17-13(16)12-7-10(15(20)21)4-6-19(12)14/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyYSBUELKYVMMLGL-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117147818
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986
methyl 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248901
2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153251
1-chloro-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249395
1-chloro-3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249330
1-chloro-3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117248784
1-chloro-3-(2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
CID 117249335
1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-ol
CID 117251610
1-chloro-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117249013
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250358
4-(1-chloro-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117249040

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 117248910) is 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is CC(C)N1CCC(c2nc(Cl)c3n2CCC(C(=O)O)C3)C1.
What is the InChIKey of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is YSBUELKYVMMLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9(2)18-5-3-11(8-18)14-17-13(16)12-7-10(15(20)21)4-6-19(12)14/h9-11H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 311.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117248910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).