2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C19H17N5OS — CID 118735959

IUPAC2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C19H17N5OS/c20-10-15-14-7-9-24(19(25)16-6-8-22-23-16)12-17(14)26-18(15)21-11-13-4-2-1-3-5-13/h1-6,8,21H,7,9,11-12H2,(H,22,23)
InChIKeyZFYNAPKTLWTHBC-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.15
Rot. Bonds4

About 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 118735959) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID118735959
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C19H17N5OS/c20-10-15-14-7-9-24(19(25)16-6-8-22-23-16)12-17(14)26-18(15)21-11-13-4-2-1-3-5-13/h1-6,8,21H,7,9,11-12H2,(H,22,23)
InChIKeyZFYNAPKTLWTHBC-UHFFFAOYSA-N
XLogP3.15
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile 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

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpyrazole-3-carboxamide
CID 1222099
N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
CID 994839
N-[3-cyano-7-(1H-pyrazole-5-carbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide
CID 44431831
2-(benzylamino)-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735958
2-[(4-fluorophenyl)methylamino]-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735961
2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735962
N-[3-cyano-6-(1-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide
CID 168289532
N-[3-cyano-6-(2-methylpyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide
CID 168293878
N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 19577863
N-[3-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 118735949
N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 118735950
N-[3-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
CID 118735951

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 118735959) is 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(NCc2ccccc2)sc2c1CCN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is ZFYNAPKTLWTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c20-10-15-14-7-9-24(19(25)16-6-8-22-23-16)12-17(14)26-18(15)21-11-13-4-2-1-3-5-13/h1-6,8,21H,7,9,11-12H2,(H,22,23).
What are the key properties of 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 363.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 118735959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).