N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C17H14N4OS — CID 71907690

IUPACN-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cncc4ccccc34)cc12
InChIInChI=1S/C17H14N4OS/c1-10-13-7-15(23-17(13)21(2)20-10)16(22)19-14-9-18-8-11-5-3-4-6-12(11)14/h3-9H,1-2H3,(H,19,22)
InChIKeyFCESPCPJAJDDBD-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.74
Rot. Bonds2

About N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 71907690) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID71907690
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cncc4ccccc34)cc12
InChIInChI=1S/C17H14N4OS/c1-10-13-7-15(23-17(13)21(2)20-10)16(22)19-14-9-18-8-11-5-3-4-6-12(11)14/h3-9H,1-2H3,(H,19,22)
InChIKeyFCESPCPJAJDDBD-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N-(4-bromo-2-fluorophenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26014198
N-[2-(ethylaminomethyl)phenyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119439894
1,3-dimethyl-N-(2-propoxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304612
1-benzyl-N-isoquinolin-5-yl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8763036
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
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
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
methyl 4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-methylbenzoate
CID 36934828
N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 71907690) is N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3cncc4ccccc34)cc12.
What is the InChIKey of N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is FCESPCPJAJDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-10-13-7-15(23-17(13)21(2)20-10)16(22)19-14-9-18-8-11-5-3-4-6-12(11)14/h3-9H,1-2H3,(H,19,22).
What are the key properties of N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 71907690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).