3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide

C18H19F2N5OS — CID 156845245

IUPAC3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCC1CN(c2cc(F)c(C(=O)Nc3cc(F)c4cn(C)nc4c3)s2)CCN1
InChIInChI=1S/C18H19F2N5OS/c1-10-8-25(4-3-21-10)16-7-14(20)17(27-16)18(26)22-11-5-13(19)12-9-24(2)23-15(12)6-11/h5-7,9-10,21H,3-4,8H2,1-2H3,(H,22,26)
InChIKeyOYIUMBRVPLNQCW-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.96
Rot. Bonds3

About 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide

3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 156845245) has the molecular formula C18H19F2N5OS and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID156845245
Molecular FormulaC18H19F2N5OS
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCC1CN(c2cc(F)c(C(=O)Nc3cc(F)c4cn(C)nc4c3)s2)CCN1
InChIInChI=1S/C18H19F2N5OS/c1-10-8-25(4-3-21-10)16-7-14(20)17(27-16)18(26)22-11-5-13(19)12-9-24(2)23-15(12)6-11/h5-7,9-10,21H,3-4,8H2,1-2H3,(H,22,26)
InChIKeyOYIUMBRVPLNQCW-UHFFFAOYSA-N
XLogP2.96
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845099
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501520
3-fluoro-N-(2-methylindazol-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845232
2-fluoro-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
CID 90469444
2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
CID 90468665
tert-butyl 4-[7-[(4-fluoro-2-methylindazol-6-yl)carbamoyl]-2-methyl-1-benzofuran-4-yl]piperazine-1-carboxylate
CID 166173811
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)indazole-7-carboxamide
CID 166523450
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167502208
methyl 4-fluoro-2-methylindazole-6-carboxylate
CID 121231598
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
2-[[2-(dimethylcarbamoylamino)-4-pyridinyl]methylamino]-N-(4-fluoro-2-methylindazol-6-yl)benzamide
CID 11561691
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]benzamide
CID 155483868

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide (CID 156845245) is 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide is CC1CN(c2cc(F)c(C(=O)Nc3cc(F)c4cn(C)nc4c3)s2)CCN1.
What is the InChIKey of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is OYIUMBRVPLNQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5OS/c1-10-8-25(4-3-21-10)16-7-14(20)17(27-16)18(26)22-11-5-13(19)12-9-24(2)23-15(12)6-11/h5-7,9-10,21H,3-4,8H2,1-2H3,(H,22,26).
What are the key properties of 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide?
3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluoro-2-methylindazol-6-yl)-5-(3-methylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 156845245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).