1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

C25H31N5O2 — CID 160782355

IUPAC1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCN(CC2CCC(C(=O)Cc3cc4cc(-c5cnco5)ncc4cn3)CC2)CC1
InChIInChI=1S/C25H31N5O2/c1-29-6-8-30(9-7-29)16-18-2-4-19(5-3-18)24(31)12-22-10-20-11-23(25-15-26-17-32-25)28-14-21(20)13-27-22/h10-11,13-15,17-19H,2-9,12,16H2,1H3
InChIKeySASZJIDXOIGPCQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 160782355) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID160782355
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCN1CCN(CC2CCC(C(=O)Cc3cc4cc(-c5cnco5)ncc4cn3)CC2)CC1
InChIInChI=1S/C25H31N5O2/c1-29-6-8-30(9-7-29)16-18-2-4-19(5-3-18)24(31)12-22-10-20-11-23(25-15-26-17-32-25)28-14-21(20)13-27-22/h10-11,13-15,17-19H,2-9,12,16H2,1H3
InChIKeySASZJIDXOIGPCQ-UHFFFAOYSA-N
XLogP3.45
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone with MolForge

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Related Compounds

1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 159551559
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
4-(hydroxymethyl)-N-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138590161
1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159856629
1-cyclopropyl-2-[6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]ethanone
CID 158014450
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158814116
1-(4-methylpiperazin-1-yl)-3-(6-pyridin-3-yl-2,7-naphthyridin-3-yl)propan-2-one
CID 158847291
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147432485
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158656022
2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
CID 158970012
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (CID 160782355) is 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is CN1CCN(CC2CCC(C(=O)Cc3cc4cc(-c5cnco5)ncc4cn3)CC2)CC1.
What is the InChIKey of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is SASZJIDXOIGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-29-6-8-30(9-7-29)16-18-2-4-19(5-3-18)24(31)12-22-10-20-11-23(25-15-26-17-32-25)28-14-21(20)13-27-22/h10-11,13-15,17-19H,2-9,12,16H2,1H3.
What are the key properties of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 433.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 160782355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).