1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide

C21H22N8OS — CID 138587403

IUPAC1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide
SMILESCc1nnc(-c2cnc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1
InChIInChI=1S/C21H22N8OS/c1-13-26-27-21(31-13)15-7-14-8-19(23-11-18(14)22-9-15)25-20(30)16-10-24-29(12-16)17-3-5-28(2)6-4-17/h7-12,17H,3-6H2,1-2H3,(H,23,25,30)
InChIKeyIXXCCYGJUHQZPL-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.17
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide

1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide (PubChem CID 138587403) has the molecular formula C21H22N8OS and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide
PubChem CID138587403
Molecular FormulaC21H22N8OS
Molecular Weight434.53 g/mol
Exact Mass434.16
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide
SMILESCc1nnc(-c2cnc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1
InChIInChI=1S/C21H22N8OS/c1-13-26-27-21(31-13)15-7-14-8-19(23-11-18(14)22-9-15)25-20(30)16-10-24-29(12-16)17-3-5-28(2)6-4-17/h7-12,17H,3-6H2,1-2H3,(H,23,25,30)
InChIKeyIXXCCYGJUHQZPL-UHFFFAOYSA-N
XLogP3.17
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea
CID 138589554
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138586828
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138589547
1-(1-methylpiperidin-4-yl)-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)cinnolin-3-yl]pyrazole-4-carboxamide
CID 138587454
N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138587970
3-methyl-5-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]cinnolin-3-yl]pyridine-2,5-dicarboxamide
CID 138589692
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148656617
1-(1-ethylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
CID 138585703
3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138590958
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
CID 138589819
3-(1-methylpiperidin-4-yl)oxy-N-[3-(1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]benzamide
CID 138589233
N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575205

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide (CID 138587403) is 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide is Cc1nnc(-c2cnc3cnc(NC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide?
The InChIKey is IXXCCYGJUHQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8OS/c1-13-26-27-21(31-13)15-7-14-8-19(23-11-18(14)22-9-15)25-20(30)16-10-24-29(12-16)17-3-5-28(2)6-4-17/h7-12,17H,3-6H2,1-2H3,(H,23,25,30).
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide?
1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 138587403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).