3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C30H31FN4O2 — CID 26137947

IUPAC3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C30H31FN4O2/c31-25-6-4-5-21(18-25)26-19-24-20-34(29(36)23-7-8-27-22(17-23)9-11-32-27)14-10-28(24)35(30(26)37)16-15-33-12-2-1-3-13-33/h4-9,11,17-19,32H,1-3,10,12-16,20H2
InChIKeyCUPZZSFKKGHFCR-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.82
Rot. Bonds5

About 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26137947) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26137947
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC Name3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C30H31FN4O2/c31-25-6-4-5-21(18-25)26-19-24-20-34(29(36)23-7-8-27-22(17-23)9-11-32-27)14-10-28(24)35(30(26)37)16-15-33-12-2-1-3-13-33/h4-9,11,17-19,32H,1-3,10,12-16,20H2
InChIKeyCUPZZSFKKGHFCR-UHFFFAOYSA-N
XLogP4.82
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26139462
3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26220971
2-(1H-indole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68579752
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70752590
1H-indol-5-yl-[3-(piperidin-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]methanone
CID 97413618
3-(3-acetylphenyl)-1-methyl-6-(3-pyrazol-1-ylbenzoyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26137187
1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141341
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 25093354
[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(1H-indol-5-yl)methanone
CID 97491903
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26137947) is 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is O=C(c1ccc2[nH]ccc2c1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is CUPZZSFKKGHFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c31-25-6-4-5-21(18-25)26-19-24-20-34(29(36)23-7-8-27-22(17-23)9-11-32-27)14-10-28(24)35(30(26)37)16-15-33-12-2-1-3-13-33/h4-9,11,17-19,32H,1-3,10,12-16,20H2.
What are the key properties of 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 498.60 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(1H-indole-5-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26137947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).