N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide

C24H18FN5OS — CID 155541940

IUPACN-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(F)c3)cc2-c2cc3cnccc3s2)n1
InChIInChI=1S/C24H18FN5OS/c1-15-4-2-7-20(27-15)24-19(22-10-16-12-26-9-8-21(16)32-22)13-30(29-24)14-23(31)28-18-6-3-5-17(25)11-18/h2-13H,14H2,1H3,(H,28,31)
InChIKeyFHNPGFGSELVLOZ-UHFFFAOYSA-N
MW443.51 g/mol
LogP5.31
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide

N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide (PubChem CID 155541940) has the molecular formula C24H18FN5OS and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
PubChem CID155541940
Molecular FormulaC24H18FN5OS
Molecular Weight443.51 g/mol
Exact Mass443.12
IUPAC NameN-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(F)c3)cc2-c2cc3cnccc3s2)n1
InChIInChI=1S/C24H18FN5OS/c1-15-4-2-7-20(27-15)24-19(22-10-16-12-26-9-8-21(16)32-22)13-30(29-24)14-23(31)28-18-6-3-5-17(25)11-18/h2-13H,14H2,1H3,(H,28,31)
InChIKeyFHNPGFGSELVLOZ-UHFFFAOYSA-N
XLogP5.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)-N-[[5-[4-(methylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]acetamide
CID 121272674
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670694
2-[7-[[2-(2,5-Difluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670695
(R)-1-(3-(3-(4-((3-fluorophenyl)thio)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 139465220
N-[[5-[4-(methylsulfonimidoyl)phenyl]-2-pyridinyl]methyl]-2-(5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10,12,14-hexaen-16-yl)acetamide
CID 155560443
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
3-(2-Fluorophenyl)-1-methyl-N-(pyridin-3-YL)-1H-thieno[2,3-C]pyrazole-5-carboxamide
CID 20857618
3-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522263
2-[4-[4-Amino-3-[4-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanamide
CID 49830372
1-[4-[4-Amino-7-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 70689777
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]-N-methylacetamide
CID 137636739

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide (CID 155541940) is N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide is Cc1cccc(-c2nn(CC(=O)Nc3cccc(F)c3)cc2-c2cc3cnccc3s2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The InChIKey is FHNPGFGSELVLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5OS/c1-15-4-2-7-20(27-15)24-19(22-10-16-12-26-9-8-21(16)32-22)13-30(29-24)14-23(31)28-18-6-3-5-17(25)11-18/h2-13H,14H2,1H3,(H,28,31).
What are the key properties of N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 155541940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).