1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

C24H24ClN7O — CID 162264664

IUPAC1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCN1CCN(c2nccc(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)c2Cl)CC1
InChIInChI=1S/C24H24ClN7O/c1-30-7-9-32(10-8-30)24-23(25)19(5-6-26-24)22(33)12-18-11-21-16(13-27-18)3-4-20(29-21)17-14-28-31(2)15-17/h3-6,11,13-15H,7-10,12H2,1-2H3
InChIKeyZZSSKDZHYFOQDD-UHFFFAOYSA-N
MW461.96 g/mol
LogP3.26
Rot. Bonds5

About 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 162264664) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID162264664
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCN1CCN(c2nccc(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)c2Cl)CC1
InChIInChI=1S/C24H24ClN7O/c1-30-7-9-32(10-8-30)24-23(25)19(5-6-26-24)22(33)12-18-11-21-16(13-27-18)3-4-20(29-21)17-14-28-31(2)15-17/h3-6,11,13-15H,7-10,12H2,1-2H3
InChIKeyZZSSKDZHYFOQDD-UHFFFAOYSA-N
XLogP3.26
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160683703
1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159300631
1-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-3-[4-(trideuteriomethyl)piperazin-1-yl]propan-2-one
CID 159595105
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
1-(6-azaspiro[2.5]octan-6-yl)-3-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]propan-2-one
CID 159638951
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
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
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 147995792
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
N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide
CID 157466044
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161367974
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138589540

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (CID 162264664) is 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is CN1CCN(c2nccc(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)c2Cl)CC1.
What is the InChIKey of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is ZZSSKDZHYFOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c1-30-7-9-32(10-8-30)24-23(25)19(5-6-26-24)22(33)12-18-11-21-16(13-27-18)3-4-20(29-21)17-14-28-31(2)15-17/h3-6,11,13-15H,7-10,12H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 461.96 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 162264664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).