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

C18H19FN4OS — CID 156845232

IUPAC3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
SMILESCn1cc2ccc(NC(=O)c3sc(C4CCNCC4)cc3F)cc2n1
InChIInChI=1S/C18H19FN4OS/c1-23-10-12-2-3-13(8-15(12)22-23)21-18(24)17-14(19)9-16(25-17)11-4-6-20-7-5-11/h2-3,8-11,20H,4-7H2,1H3,(H,21,24)
InChIKeyLEOYJLFEORCERD-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.49
Rot. Bonds3

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

3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 156845232) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
PubChem CID156845232
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
SMILESCn1cc2ccc(NC(=O)c3sc(C4CCNCC4)cc3F)cc2n1
InChIInChI=1S/C18H19FN4OS/c1-23-10-12-2-3-13(8-15(12)22-23)21-18(24)17-14(19)9-16(25-17)11-4-6-20-7-5-11/h2-3,8-11,20H,4-7H2,1H3,(H,21,24)
InChIKeyLEOYJLFEORCERD-UHFFFAOYSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845099
3-fluoro-N-(2-methylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845235
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
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
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-methylindazol-6-yl)-2-(pyridin-4-ylmethylamino)benzamide
CID 141140513
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
2-[(2-bromo-4-pyridinyl)methylamino]-N-(2-methylindazol-6-yl)benzamide
CID 23118972
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide (CID 156845232) is 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide is Cn1cc2ccc(NC(=O)c3sc(C4CCNCC4)cc3F)cc2n1.
What is the InChIKey of 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is LEOYJLFEORCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-23-10-12-2-3-13(8-15(12)22-23)21-18(24)17-14(19)9-16(25-17)11-4-6-20-7-5-11/h2-3,8-11,20H,4-7H2,1H3,(H,21,24).
What are the key properties of 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide?
3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 156845232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).