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

C22H28N6O — CID 71667931

IUPAC1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C22H28N6O/c1-14(29)18-12-23-20-9-8-19(16-10-24-25-11-16)27-22(20)21(18)26-17-6-4-15(5-7-17)13-28(2)3/h8-12,15,17H,4-7,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyWEXLLFSLHVKYLS-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.75
Rot. Bonds6

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

1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone (PubChem CID 71667931) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
PubChem CID71667931
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C22H28N6O/c1-14(29)18-12-23-20-9-8-19(16-10-24-25-11-16)27-22(20)21(18)26-17-6-4-15(5-7-17)13-28(2)3/h8-12,15,17H,4-7,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyWEXLLFSLHVKYLS-UHFFFAOYSA-N
XLogP3.75
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.75
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-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone (CID 71667931) is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cn[nH]c3)nc2c1NC1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is WEXLLFSLHVKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-14(29)18-12-23-20-9-8-19(16-10-24-25-11-16)27-22(20)21(18)26-17-6-4-15(5-7-17)13-28(2)3/h8-12,15,17H,4-7,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone?
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 392.51 g/mol, XLogP of 3.75, 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-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 71667931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).