3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide

C18H18F2N4OS — CID 156845099

IUPAC3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
SMILESCn1cc2c(F)cc(NC(=O)c3sc(C4CCNCC4)cc3F)cc2n1
InChIInChI=1S/C18H18F2N4OS/c1-24-9-12-13(19)6-11(7-15(12)23-24)22-18(25)17-14(20)8-16(26-17)10-2-4-21-5-3-10/h6-10,21H,2-5H2,1H3,(H,22,25)
InChIKeyGURQEUCETHUYNG-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.63
Rot. Bonds3

About 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide

3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 156845099) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
PubChem CID156845099
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC Name3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
SMILESCn1cc2c(F)cc(NC(=O)c3sc(C4CCNCC4)cc3F)cc2n1
InChIInChI=1S/C18H18F2N4OS/c1-24-9-12-13(19)6-11(7-15(12)23-24)22-18(25)17-14(20)8-16(26-17)10-2-4-21-5-3-10/h6-10,21H,2-5H2,1H3,(H,22,25)
InChIKeyGURQEUCETHUYNG-UHFFFAOYSA-N
XLogP3.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845232
3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 156845245
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845235
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
3-fluoro-N-(4-fluoro-2-methyl-3a,7a-dihydro-1,3-benzothiazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845136
N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 156845224
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-5-[(2R,4R)-2-methylpiperidin-4-yl]thiophene-2-carboxamide
CID 168725238
methyl 4-fluoro-2-methylindazole-6-carboxylate
CID 121231598
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
CID 11561691
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide (CID 156845099) is 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide is Cn1cc2c(F)cc(NC(=O)c3sc(C4CCNCC4)cc3F)cc2n1.
What is the InChIKey of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is GURQEUCETHUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-24-9-12-13(19)6-11(7-15(12)23-24)22-18(25)17-14(20)8-16(26-17)10-2-4-21-5-3-10/h6-10,21H,2-5H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 156845099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).