2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate

C14H12N6O2 — CID 75400858

IUPAC2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESN#Cc1cnn(CCOC(=O)c2ccn3cncc3c2)c1N
InChIInChI=1S/C14H12N6O2/c15-6-11-7-18-20(13(11)16)3-4-22-14(21)10-1-2-19-9-17-8-12(19)5-10/h1-2,5,7-9H,3-4,16H2
InChIKeySJSZAKWJBRWYIU-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.84
Rot. Bonds4

About 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate

2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 75400858) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID75400858
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESN#Cc1cnn(CCOC(=O)c2ccn3cncc3c2)c1N
InChIInChI=1S/C14H12N6O2/c15-6-11-7-18-20(13(11)16)3-4-22-14(21)10-1-2-19-9-17-8-12(19)5-10/h1-2,5,7-9H,3-4,16H2
InChIKeySJSZAKWJBRWYIU-UHFFFAOYSA-N
XLogP0.84
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate
CID 75370370
[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 99794842
(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 75483262
(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 99781082
tert-butyl 2-(5-amino-4-cyanopyrazol-1-yl)acetate
CID 68926068
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] imidazo[1,5-a]pyridine-7-carboxylate
CID 97253373
(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate
CID 75497496
N-[2-(diethylamino)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 84578852
5-amino-1-(1-methyl-2-oxopyridine-4-carbonyl)pyrazole-4-carbonitrile
CID 51100200
5-amino-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 43145819
5-amino-1-(oxetan-3-ylmethyl)pyrazole-4-carbonitrile
CID 84656415
propan-2-yl 4-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 75416841

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate (CID 75400858) is 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate is N#Cc1cnn(CCOC(=O)c2ccn3cncc3c2)c1N.
What is the InChIKey of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is SJSZAKWJBRWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c15-6-11-7-18-20(13(11)16)3-4-22-14(21)10-1-2-19-9-17-8-12(19)5-10/h1-2,5,7-9H,3-4,16H2.
What are the key properties of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate?
2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 296.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 75400858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).