8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one

C28H32N6O2 — CID 58094171

IUPAC8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
SMILESCC(=O)N1CCC(c2ccc(Nc3nc(-c4cnn(CC(C)C)c4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C28H32N6O2/c1-18(2)16-34-17-23(15-30-34)25-14-22-8-11-29-28(36)26(22)27(32-25)31-24-6-4-20(5-7-24)21-9-12-33(13-10-21)19(3)35/h4-8,11,14-15,17-18,21H,9-10,12-13,16H2,1-3H3,(H,29,36)(H,31,32)
InChIKeyJQHIOBMPLJEDMM-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.91
Rot. Bonds6

About 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one (PubChem CID 58094171) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
PubChem CID58094171
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
SMILESCC(=O)N1CCC(c2ccc(Nc3nc(-c4cnn(CC(C)C)c4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C28H32N6O2/c1-18(2)16-34-17-23(15-30-34)25-14-22-8-11-29-28(36)26(22)27(32-25)31-24-6-4-20(5-7-24)21-9-12-33(13-10-21)19(3)35/h4-8,11,14-15,17-18,21H,9-10,12-13,16H2,1-3H3,(H,29,36)(H,31,32)
InChIKeyJQHIOBMPLJEDMM-UHFFFAOYSA-N
XLogP4.91
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one (CID 58094171) is 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one is CC(=O)N1CCC(c2ccc(Nc3nc(-c4cnn(CC(C)C)c4)cc4cc[nH]c(=O)c34)cc2)CC1.
What is the InChIKey of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?
The InChIKey is JQHIOBMPLJEDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-18(2)16-34-17-23(15-30-34)25-14-22-8-11-29-28(36)26(22)27(32-25)31-24-6-4-20(5-7-24)21-9-12-33(13-10-21)19(3)35/h4-8,11,14-15,17-18,21H,9-10,12-13,16H2,1-3H3,(H,29,36)(H,31,32).
What are the key properties of 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one?
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one has a molecular weight of 484.60 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-acetylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).