1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

C24H25N7O — CID 159579940

IUPAC1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ncc4cn3)ccn2)CC1
InChIInChI=1S/C24H25N7O/c1-30-7-4-16(5-8-30)21-10-17(3-6-25-21)24(32)12-20-9-18-11-22(23-15-31(2)29-28-23)27-14-19(18)13-26-20/h3,6,9-11,13-16H,4-5,7-8,12H2,1-2H3
InChIKeyMIWTVBNMWBWTSA-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.05
Rot. Bonds5

About 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 159579940) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID159579940
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ncc4cn3)ccn2)CC1
InChIInChI=1S/C24H25N7O/c1-30-7-4-16(5-8-30)21-10-17(3-6-25-21)24(32)12-20-9-18-11-22(23-15-31(2)29-28-23)27-14-19(18)13-26-20/h3,6,9-11,13-16H,4-5,7-8,12H2,1-2H3
InChIKeyMIWTVBNMWBWTSA-UHFFFAOYSA-N
XLogP3.05
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 159579940) is 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is CN1CCC(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ncc4cn3)ccn2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is MIWTVBNMWBWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-30-7-4-16(5-8-30)21-10-17(3-6-25-21)24(32)12-20-9-18-11-22(23-15-31(2)29-28-23)27-14-19(18)13-26-20/h3,6,9-11,13-16H,4-5,7-8,12H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 159579940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).