2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide

C17H15FN4O3S — CID 67400020

IUPAC2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)N3CCOCC3)cc12)c1ccccc1F
InChIInChI=1S/C17H15FN4O3S/c18-12-4-2-1-3-10(12)15(23)19-14-11-9-13(26-16(11)21-20-14)17(24)22-5-7-25-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21,23)
InChIKeyKICHRCJTRRICMQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds3

About 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide

2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide (PubChem CID 67400020) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
PubChem CID67400020
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)N3CCOCC3)cc12)c1ccccc1F
InChIInChI=1S/C17H15FN4O3S/c18-12-4-2-1-3-10(12)15(23)19-14-11-9-13(26-16(11)21-20-14)17(24)22-5-7-25-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21,23)
InChIKeyKICHRCJTRRICMQ-UHFFFAOYSA-N
XLogP2.49
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-[(2-fluorobenzoyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401377
3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67399160
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
N-[2-(4-fluorophenyl)propan-2-yl]-3-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66784959
3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68819738
methyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130849
3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68819378
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
CID 1130935
3-[[2-(1H-pyrrole-3-carbonylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68859990
2-fluoro-N-[5-(morpholine-4-carbonyl)-2-pyrrolidin-1-ylphenyl]benzamide
CID 3953635
2-fluoro-N-[1-methyl-5-(morpholine-4-carbonyl)-2-oxo-3-pyridinyl]benzamide
CID 45498204
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1004833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide (CID 67400020) is 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide is O=C(Nc1[nH]nc2sc(C(=O)N3CCOCC3)cc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
The InChIKey is KICHRCJTRRICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c18-12-4-2-1-3-10(12)15(23)19-14-11-9-13(26-16(11)21-20-14)17(24)22-5-7-25-8-6-22/h1-4,9H,5-8H2,(H2,19,20,21,23).
What are the key properties of 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 67400020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).