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

C24H24ClN7O — CID 160683703

IUPAC1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCN(c2nccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)c2Cl)CC1
InChIInChI=1S/C24H24ClN7O/c1-30-5-7-32(8-6-30)24-23(25)20(3-4-26-24)22(33)11-19-9-16-10-21(18-14-29-31(2)15-18)28-13-17(16)12-27-19/h3-4,9-10,12-15H,5-8,11H2,1-2H3
InChIKeyROMCZMNOESSIDB-UHFFFAOYSA-N
MW461.96 g/mol
LogP3.26
Rot. Bonds5

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

1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 160683703) 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-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID160683703
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCN(c2nccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)c2Cl)CC1
InChIInChI=1S/C24H24ClN7O/c1-30-5-7-32(8-6-30)24-23(25)20(3-4-26-24)22(33)11-19-9-16-10-21(18-14-29-31(2)15-18)28-13-17(16)12-27-19/h3-4,9-10,12-15H,5-8,11H2,1-2H3
InChIKeyROMCZMNOESSIDB-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 160683703) is 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is CN1CCN(c2nccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ncc4cn3)c2Cl)CC1.
What is the InChIKey of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is ROMCZMNOESSIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c1-30-5-7-32(8-6-30)24-23(25)20(3-4-26-24)22(33)11-19-9-16-10-21(18-14-29-31(2)15-18)28-13-17(16)12-27-19/h3-4,9-10,12-15H,5-8,11H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-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-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 160683703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).