2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone

C25H28N6OS — CID 158326417

IUPAC2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(C)N1CCC(c2nc(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)cs2)CC1
InChIInChI=1S/C25H28N6OS/c1-16(2)31-8-6-17(7-9-31)25-29-23(15-33-25)24(32)11-20-10-22-18(12-26-20)4-5-21(28-22)19-13-27-30(3)14-19/h4-5,10,12-17H,6-9,11H2,1-3H3
InChIKeyGPLQNDBADFBFMC-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.50
Rot. Bonds6

About 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone

2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 158326417) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID158326417
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(C)N1CCC(c2nc(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)cs2)CC1
InChIInChI=1S/C25H28N6OS/c1-16(2)31-8-6-17(7-9-31)25-29-23(15-33-25)24(32)11-20-10-22-18(12-26-20)4-5-21(28-22)19-13-27-30(3)14-19/h4-5,10,12-17H,6-9,11H2,1-3H3
InChIKeyGPLQNDBADFBFMC-UHFFFAOYSA-N
XLogP4.50
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone (CID 158326417) is 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone is CC(C)N1CCC(c2nc(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)cs2)CC1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GPLQNDBADFBFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-16(2)31-8-6-17(7-9-31)25-29-23(15-33-25)24(32)11-20-10-22-18(12-26-20)4-5-21(28-22)19-13-27-30(3)14-19/h4-5,10,12-17H,6-9,11H2,1-3H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone?
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 460.61 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 158326417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).