(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide

C19H19N7O3 — CID 118980667

IUPAC(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESCOc1cc(-c2ccc3nc(NC(=O)[C@H]4CCN(C#N)C4)cn3c2)c(OC)nn1
InChIInChI=1S/C19H19N7O3/c1-28-17-7-14(19(29-2)24-23-17)12-3-4-16-21-15(10-26(16)9-12)22-18(27)13-5-6-25(8-13)11-20/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,22,27)/t13-/m0/s1
InChIKeyKPPCNXMJVIOWRB-ZDUSSCGKSA-N
MW393.41 g/mol
LogP1.55
Rot. Bonds5

About (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 118980667) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
PubChem CID118980667
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESCOc1cc(-c2ccc3nc(NC(=O)[C@H]4CCN(C#N)C4)cn3c2)c(OC)nn1
InChIInChI=1S/C19H19N7O3/c1-28-17-7-14(19(29-2)24-23-17)12-3-4-16-21-15(10-26(16)9-12)22-18(27)13-5-6-25(8-13)11-20/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,22,27)/t13-/m0/s1
InChIKeyKPPCNXMJVIOWRB-ZDUSSCGKSA-N
XLogP1.55
TPSA117.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981293
1-cyano-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980507
3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980798
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 118980499
N-[6-[5-[hydroxy(methoxy)methyl]-2-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686025
(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylimidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981154
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
3-[[(3S)-1-cyanopyrrolidine-3-carbonyl]amino]isoquinoline-6-carboxamide
CID 118980660
1-cyano-N-[4-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 118980548
(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980831
N-[6-(3,4-difluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 155081984

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide (CID 118980667) is (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide is COc1cc(-c2ccc3nc(NC(=O)[C@H]4CCN(C#N)C4)cn3c2)c(OC)nn1.
What is the InChIKey of (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is KPPCNXMJVIOWRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-28-17-7-14(19(29-2)24-23-17)12-3-4-16-21-15(10-26(16)9-12)22-18(27)13-5-6-25(8-13)11-20/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,22,27)/t13-/m0/s1.
What are the key properties of (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).