N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C19H21N7O — CID 122590926

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(C)cc1-c1ccn2c(C(=O)N(C)[C@@H]3CCN(C#N)C3)cnc2c1
InChIInChI=1S/C19H21N7O/c1-13-16(11-23(2)22-13)14-4-7-26-17(9-21-18(26)8-14)19(27)24(3)15-5-6-25(10-15)12-20/h4,7-9,11,15H,5-6,10H2,1-3H3/t15-/m1/s1
InChIKeyORCWNWGCFVDWFE-OAHLLOKOSA-N
MW363.43 g/mol
LogP1.67
Rot. Bonds3

About N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122590926) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122590926
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(C)cc1-c1ccn2c(C(=O)N(C)[C@@H]3CCN(C#N)C3)cnc2c1
InChIInChI=1S/C19H21N7O/c1-13-16(11-23(2)22-13)14-4-7-26-17(9-21-18(26)8-14)19(27)24(3)15-5-6-25(10-15)12-20/h4,7-9,11,15H,5-6,10H2,1-3H3/t15-/m1/s1
InChIKeyORCWNWGCFVDWFE-OAHLLOKOSA-N
XLogP1.67
TPSA82.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.67
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]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 122590926) is N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(C)cc1-c1ccn2c(C(=O)N(C)[C@@H]3CCN(C#N)C3)cnc2c1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ORCWNWGCFVDWFE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-16(11-23(2)22-13)14-4-7-26-17(9-21-18(26)8-14)19(27)24(3)15-5-6-25(10-15)12-20/h4,7-9,11,15H,5-6,10H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.67, 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]-7-(1,3-dimethylpyrazol-4-yl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122590926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).