6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C30H27N5O2 — CID 143841236

IUPAC6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCC(=C=O)N1CCC(c2ccc(Nc3nc(-c4ccc5[nH]ccc5c4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C30H27N5O2/c1-19(18-36)35-14-10-21(11-15-35)20-2-5-25(6-3-20)33-29-28-24(9-13-32-30(28)37)17-27(34-29)22-4-7-26-23(16-22)8-12-31-26/h2-9,12-13,16-17,21,31H,10-11,14-15H2,1H3,(H,32,37)(H,33,34)
InChIKeyMCQUWVPNYUDWSU-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.73
Rot. Bonds5

About 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 143841236) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
PubChem CID143841236
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCC(=C=O)N1CCC(c2ccc(Nc3nc(-c4ccc5[nH]ccc5c4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C30H27N5O2/c1-19(18-36)35-14-10-21(11-15-35)20-2-5-25(6-3-20)33-29-28-24(9-13-32-30(28)37)17-27(34-29)22-4-7-26-23(16-22)8-12-31-26/h2-9,12-13,16-17,21,31H,10-11,14-15H2,1H3,(H,32,37)(H,33,34)
InChIKeyMCQUWVPNYUDWSU-UHFFFAOYSA-N
XLogP5.73
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 143841447
6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 143841231
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511
8-[4-[1-(2-hydroxyethyl)piperidin-4-yl]anilino]-6-(1-methylpyrazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 58093803
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
CID 58094243
6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094659
8-[4-(1-ethylpiperidin-4-yl)anilino]-6-(5-methylsulfonyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 66887444
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[3-(trifluoromethoxy)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093773
6-(5-ethylsulfonyl-3-pyridinyl)-8-[4-(1-methylsulfonylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094689
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094107
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[3-methylsulfonyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093958
8-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58094409

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 143841236) is 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is CC(=C=O)N1CCC(c2ccc(Nc3nc(-c4ccc5[nH]ccc5c4)cc4cc[nH]c(=O)c34)cc2)CC1.
What is the InChIKey of 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is MCQUWVPNYUDWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-19(18-36)35-14-10-21(11-15-35)20-2-5-25(6-3-20)33-29-28-24(9-13-32-30(28)37)17-27(34-29)22-4-7-26-23(16-22)8-12-31-26/h2-9,12-13,16-17,21,31H,10-11,14-15H2,1H3,(H,32,37)(H,33,34).
What are the key properties of 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 489.58 g/mol, XLogP of 5.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 143841236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).