N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C19H21N5OS — CID 136577383

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)N3CCc4sccc4C3)cn2)n1
InChIInChI=1S/C19H21N5OS/c1-13-9-14(2)24(22-13)18-4-3-15(10-20-18)11-21-19(25)23-7-5-17-16(12-23)6-8-26-17/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,21,25)
InChIKeyCFZBICIHRPMQEE-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.21
Rot. Bonds3

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 136577383) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID136577383
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)N3CCc4sccc4C3)cn2)n1
InChIInChI=1S/C19H21N5OS/c1-13-9-14(2)24(22-13)18-4-3-15(10-20-18)11-21-19(25)23-7-5-17-16(12-23)6-8-26-17/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,21,25)
InChIKeyCFZBICIHRPMQEE-UHFFFAOYSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-(3,3,3-trifluoropropanoyl)piperazine-1-carboxamide
CID 86869190
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
methyl 1-[N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253449
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxypyridine-4-carboxamide
CID 99810655
2-(aminomethyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119848605
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18228022
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47049114
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890477

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 136577383) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)N3CCc4sccc4C3)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is CFZBICIHRPMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-9-14(2)24(22-13)18-4-3-15(10-20-18)11-21-19(25)23-7-5-17-16(12-23)6-8-26-17/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 136577383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).