N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide

C21H15N5OS — CID 138586943

IUPACN-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)c4ccc5sccc5c4)ncc3cn2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-12-17(11-24-26)18-7-15-8-20(23-10-16(15)9-22-18)25-21(27)14-2-3-19-13(6-14)4-5-28-19/h2-12H,1H3,(H,23,25,27)
InChIKeyJMIUVCLIWCRSQS-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.50
Rot. Bonds3

About N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide

N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide (PubChem CID 138586943) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide
PubChem CID138586943
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC NameN-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)c4ccc5sccc5c4)ncc3cn2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-12-17(11-24-26)18-7-15-8-20(23-10-16(15)9-22-18)25-21(27)14-2-3-19-13(6-14)4-5-28-19/h2-12H,1H3,(H,23,25,27)
InChIKeyJMIUVCLIWCRSQS-UHFFFAOYSA-N
XLogP4.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
CID 138590221
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174
1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160699260
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzofuran-5-carboxamide
CID 138587643
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590246
3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide
CID 138587575
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138588886
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589048
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetamide
CID 138591471
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589218
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide (CID 138586943) is N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide is Cn1cc(-c2cc3cc(NC(=O)c4ccc5sccc5c4)ncc3cn2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide?
The InChIKey is JMIUVCLIWCRSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-26-12-17(11-24-26)18-7-15-8-20(23-10-16(15)9-22-18)25-21(27)14-2-3-19-13(6-14)4-5-28-19/h2-12H,1H3,(H,23,25,27).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide?
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 138586943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).