1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one

C20H23N5OS — CID 157466556

IUPAC1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
SMILESCc1ncc(-c2cc3cc(CC(=O)CN4CCN(C)CC4)ncc3cn2)s1
InChIInChI=1S/C20H23N5OS/c1-14-21-12-20(27-14)19-8-15-7-17(22-10-16(15)11-23-19)9-18(26)13-25-5-3-24(2)4-6-25/h7-8,10-12H,3-6,9,13H2,1-2H3
InChIKeyBUNXLCYITQHRGG-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.42
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one

1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one (PubChem CID 157466556) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
PubChem CID157466556
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one
SMILESCc1ncc(-c2cc3cc(CC(=O)CN4CCN(C)CC4)ncc3cn2)s1
InChIInChI=1S/C20H23N5OS/c1-14-21-12-20(27-14)19-8-15-7-17(22-10-16(15)11-23-19)9-18(26)13-25-5-3-24(2)4-6-25/h7-8,10-12H,3-6,9,13H2,1-2H3
InChIKeyBUNXLCYITQHRGG-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one (CID 157466556) is 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one is Cc1ncc(-c2cc3cc(CC(=O)CN4CCN(C)CC4)ncc3cn2)s1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
The InChIKey is BUNXLCYITQHRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-21-12-20(27-14)19-8-15-7-17(22-10-16(15)11-23-19)9-18(26)13-25-5-3-24(2)4-6-25/h7-8,10-12H,3-6,9,13H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one?
1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one has a molecular weight of 381.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[6-(2-methyl-1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]propan-2-one is sourced from PubChem (CID 157466556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).