1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone

C24H32N6O — CID 71666021

IUPAC1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3c(C)n[nH]c3C)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C24H32N6O/c1-14-22(15(2)29-28-14)20-10-11-21-24(27-20)23(19(12-25-21)16(3)31)26-18-8-6-17(7-9-18)13-30(4)5/h10-12,17-18H,6-9,13H2,1-5H3,(H,25,26)(H,28,29)
InChIKeyMAIRXTLEGWHTAJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.37
Rot. Bonds6

About 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone

1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone (PubChem CID 71666021) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
PubChem CID71666021
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3c(C)n[nH]c3C)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C24H32N6O/c1-14-22(15(2)29-28-14)20-10-11-21-24(27-20)23(19(12-25-21)16(3)31)26-18-8-6-17(7-9-18)13-30(4)5/h10-12,17-18H,6-9,13H2,1-5H3,(H,25,26)(H,28,29)
InChIKeyMAIRXTLEGWHTAJ-UHFFFAOYSA-N
XLogP4.37
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone (CID 71666021) is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3c(C)n[nH]c3C)nc2c1NC1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is MAIRXTLEGWHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-14-22(15(2)29-28-14)20-10-11-21-24(27-20)23(19(12-25-21)16(3)31)26-18-8-6-17(7-9-18)13-30(4)5/h10-12,17-18H,6-9,13H2,1-5H3,(H,25,26)(H,28,29).
What are the key properties of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 420.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 71666021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).