1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide

C20H22N6OS — CID 171772848

IUPAC1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3ccc4nc(C5CCCN5C)cn4c3)cc12
InChIInChI=1S/C20H22N6OS/c1-12-14-9-17(28-20(14)25(3)23-12)19(27)21-13-6-7-18-22-15(11-26(18)10-13)16-5-4-8-24(16)2/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,21,27)
InChIKeyFQEAHMJCHIMLGU-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.61
Rot. Bonds3

About 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 171772848) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID171772848
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3ccc4nc(C5CCCN5C)cn4c3)cc12
InChIInChI=1S/C20H22N6OS/c1-12-14-9-17(28-20(14)25(3)23-12)19(27)21-13-6-7-18-22-15(11-26(18)10-13)16-5-4-8-24(16)2/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,21,27)
InChIKeyFQEAHMJCHIMLGU-UHFFFAOYSA-N
XLogP3.61
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51314909
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
1,3-dimethyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 30806845
[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86951494
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
N-(3-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304588
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
1,3-dimethyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17465549
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 18134966
1,3-dimethyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 41489717

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 171772848) is 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3ccc4nc(C5CCCN5C)cn4c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FQEAHMJCHIMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-12-14-9-17(28-20(14)25(3)23-12)19(27)21-13-6-7-18-22-15(11-26(18)10-13)16-5-4-8-24(16)2/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,21,27).
What are the key properties of 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridin-6-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 171772848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).