1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone

C23H23N7OS — CID 147119054

IUPAC1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCc1nnc(-c2cc3cc(CC(=O)c4ccc(N5CCN(C)CC5)nc4)ncc3cn2)s1
InChIInChI=1S/C23H23N7OS/c1-15-27-28-23(32-15)20-10-17-9-19(24-13-18(17)14-25-20)11-21(31)16-3-4-22(26-12-16)30-7-5-29(2)6-8-30/h3-4,9-10,12-14H,5-8,11H2,1-2H3
InChIKeyBNZMDJKSPBIRKZ-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.03
Rot. Bonds5

About 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone

1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 147119054) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID147119054
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC Name1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCc1nnc(-c2cc3cc(CC(=O)c4ccc(N5CCN(C)CC5)nc4)ncc3cn2)s1
InChIInChI=1S/C23H23N7OS/c1-15-27-28-23(32-15)20-10-17-9-19(24-13-18(17)14-25-20)11-21(31)16-3-4-22(26-12-16)30-7-5-29(2)6-8-30/h3-4,9-10,12-14H,5-8,11H2,1-2H3
InChIKeyBNZMDJKSPBIRKZ-UHFFFAOYSA-N
XLogP3.03
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone with MolForge

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Related Compounds

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
2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 157489149
2-[6-[5-(dimethylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159696630
2-[6-[6-(dimethylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158985268
2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 152819762
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160774844
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;hydrobromide
CID 87943984
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-([1,3]oxazolo[5,4-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158920877
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 146892193
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158242202

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone (CID 147119054) is 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone is Cc1nnc(-c2cc3cc(CC(=O)c4ccc(N5CCN(C)CC5)nc4)ncc3cn2)s1.
What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is BNZMDJKSPBIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-15-27-28-23(32-15)20-10-17-9-19(24-13-18(17)14-25-20)11-21(31)16-3-4-22(26-12-16)30-7-5-29(2)6-8-30/h3-4,9-10,12-14H,5-8,11H2,1-2H3.
What are the key properties of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 445.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 147119054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).