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

C17H17N7O — CID 122590706

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCn1cc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cn1
InChIInChI=1S/C17H17N7O/c1-22-7-13(6-19-22)12-2-3-16-21-15(10-24(16)8-12)17(25)20-14-4-5-23(9-14)11-18/h2-3,6-8,10,14H,4-5,9H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyIEKJTQZFBHSDSZ-CQSZACIVSA-N
MW335.37 g/mol
LogP1.02
Rot. Bonds3

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

N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 122590706) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID122590706
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCn1cc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cn1
InChIInChI=1S/C17H17N7O/c1-22-7-13(6-19-22)12-2-3-16-21-15(10-24(16)8-12)17(25)20-14-4-5-23(9-14)11-18/h2-3,6-8,10,14H,4-5,9H2,1H3,(H,20,25)/t14-/m1/s1
InChIKeyIEKJTQZFBHSDSZ-CQSZACIVSA-N
XLogP1.02
TPSA91.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 122590706) is N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is Cn1cc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cn1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is IEKJTQZFBHSDSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N7O/c1-22-7-13(6-19-22)12-2-3-16-21-15(10-24(16)8-12)17(25)20-14-4-5-23(9-14)11-18/h2-3,6-8,10,14H,4-5,9H2,1H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.02, 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-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 122590706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).