2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C17H23N5O2S — CID 16802586

IUPAC2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1
InChIInChI=1S/C17H23N5O2S/c1-4-6-22-7-5-11-13(9-22)25-17(14(11)15(18)23)19-16(24)12-8-10(2)20-21(12)3/h8H,4-7,9H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyAOVCKBICONMEEF-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.91
Rot. Bonds5

About 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 16802586) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID16802586
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCN1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1
InChIInChI=1S/C17H23N5O2S/c1-4-6-22-7-5-11-13(9-22)25-17(14(11)15(18)23)19-16(24)12-8-10(2)20-21(12)3/h8H,4-7,9H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyAOVCKBICONMEEF-UHFFFAOYSA-N
XLogP1.91
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 16802586) is 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1.
What is the InChIKey of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is AOVCKBICONMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-4-6-22-7-5-11-13(9-22)25-17(14(11)15(18)23)19-16(24)12-8-10(2)20-21(12)3/h8H,4-7,9H2,1-3H3,(H2,18,23)(H,19,24).
What are the key properties of 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 16802586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).