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

C18H19N7O — CID 122590771

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C(=O)c1cn2cc(-c3cnn(C)c3)ccc2n1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C18H19N7O/c1-22-8-14(7-20-22)13-3-4-17-21-16(11-25(17)9-13)18(26)23(2)15-5-6-24(10-15)12-19/h3-4,7-9,11,15H,5-6,10H2,1-2H3/t15-/m1/s1
InChIKeyWJFKNKFBAOIBMX-OAHLLOKOSA-N
MW349.40 g/mol
LogP1.36
Rot. Bonds3

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

N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 122590771) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID122590771
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C(=O)c1cn2cc(-c3cnn(C)c3)ccc2n1)[C@@H]1CCN(C#N)C1
InChIInChI=1S/C18H19N7O/c1-22-8-14(7-20-22)13-3-4-17-21-16(11-25(17)9-13)18(26)23(2)15-5-6-24(10-15)12-19/h3-4,7-9,11,15H,5-6,10H2,1-2H3/t15-/m1/s1
InChIKeyWJFKNKFBAOIBMX-OAHLLOKOSA-N
XLogP1.36
TPSA82.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.36
H-Bond Donors ≤ 50
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]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 122590771) is N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is CN(C(=O)c1cn2cc(-c3cnn(C)c3)ccc2n1)[C@@H]1CCN(C#N)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WJFKNKFBAOIBMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N7O/c1-22-8-14(7-20-22)13-3-4-17-21-16(11-25(17)9-13)18(26)23(2)15-5-6-24(10-15)12-19/h3-4,7-9,11,15H,5-6,10H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-N-methyl-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 122590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).