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

C19H16FN5OS — CID 118735962

IUPAC2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C19H16FN5OS/c20-13-3-1-12(2-4-13)10-22-18-15(9-21)14-6-8-25(11-17(14)27-18)19(26)16-5-7-23-24-16/h1-5,7,22H,6,8,10-11H2,(H,23,24)
InChIKeyWUAGFWVSHPLBOW-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.29
Rot. Bonds4

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

2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 118735962) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID118735962
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C19H16FN5OS/c20-13-3-1-12(2-4-13)10-22-18-15(9-21)14-6-8-25(11-17(14)27-18)19(26)16-5-7-23-24-16/h1-5,7,22H,6,8,10-11H2,(H,23,24)
InChIKeyWUAGFWVSHPLBOW-UHFFFAOYSA-N
XLogP3.29
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methylamino]-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-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-(benzylamino)-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735959
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-(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
N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
CID 118735952
4-chloro-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 118735953

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 118735962) is 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(NCc2ccc(F)cc2)sc2c1CCN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is WUAGFWVSHPLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c20-13-3-1-12(2-4-13)10-22-18-15(9-21)14-6-8-25(11-17(14)27-18)19(26)16-5-7-23-24-16/h1-5,7,22H,6,8,10-11H2,(H,23,24).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 381.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-6-(1H-pyrazole-5-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 118735962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).