N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

C18H19N7O — CID 122590727

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1ccc2nc(C(=O)N[C@@H]3CCN(C#N)C3)cn2c1
InChIInChI=1S/C18H19N7O/c1-12-15(9-23(2)22-12)13-3-4-17-21-16(10-25(17)7-13)18(26)20-14-5-6-24(8-14)11-19/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,20,26)/t14-/m1/s1
InChIKeyIYBSDASRAHMSFO-CQSZACIVSA-N
MW349.40 g/mol
LogP1.33
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 122590727) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID122590727
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1ccc2nc(C(=O)N[C@@H]3CCN(C#N)C3)cn2c1
InChIInChI=1S/C18H19N7O/c1-12-15(9-23(2)22-12)13-3-4-17-21-16(10-25(17)7-13)18(26)20-14-5-6-24(8-14)11-19/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,20,26)/t14-/m1/s1
InChIKeyIYBSDASRAHMSFO-CQSZACIVSA-N
XLogP1.33
TPSA91.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 122590727) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1nn(C)cc1-c1ccc2nc(C(=O)N[C@@H]3CCN(C#N)C3)cn2c1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is IYBSDASRAHMSFO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-15(9-23(2)22-12)13-3-4-17-21-16(10-25(17)7-13)18(26)20-14-5-6-24(8-14)11-19/h3-4,7,9-10,14H,5-6,8H2,1-2H3,(H,20,26)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1,3-dimethylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 122590727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).