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

C21H15N5OS — CID 138590221

IUPACN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccc5sccc5c4)cc3n2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-12-16(11-23-26)17-4-2-15-10-22-20(9-18(15)24-17)25-21(27)14-3-5-19-13(8-14)6-7-28-19/h2-12H,1H3,(H,22,25,27)
InChIKeyNHOVZMMWQZNVNA-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.50
Rot. Bonds3

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

N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide (PubChem CID 138590221) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
PubChem CID138590221
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC NameN-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccc5sccc5c4)cc3n2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-12-16(11-23-26)17-4-2-15-10-22-20(9-18(15)24-17)25-21(27)14-3-5-19-13(8-14)6-7-28-19/h2-12H,1H3,(H,22,25,27)
InChIKeyNHOVZMMWQZNVNA-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-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-benzothiophene-5-carboxamide
CID 138586943
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 138591594
6-(4-methylpiperazin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridazine-4-carboxamide
CID 138590695
2-[2-(dimethylamino)ethoxy]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138591319
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 138589617
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
2-(4-hydroxypiperidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590290
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
CID 138589589
1-(1-benzothiophen-5-yl)-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160699260
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide (CID 138590221) is N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5sccc5c4)cc3n2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide?
The InChIKey is NHOVZMMWQZNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-26-12-16(11-23-26)17-4-2-15-10-22-20(9-18(15)24-17)25-21(27)14-3-5-19-13(8-14)6-7-28-19/h2-12H,1H3,(H,22,25,27).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide?
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-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-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 138590221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).