1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C26H26ClN5O5 — CID 171523480

IUPAC1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2cnc(N3CCc4c(C(=O)O)nn(-c5cccc(Cl)c5)c4C3=O)cc2C1
InChIInChI=1S/C26H26ClN5O5/c1-26(2,3)37-25(36)30-9-7-15-13-28-20(11-16(15)14-30)31-10-8-19-21(24(34)35)29-32(22(19)23(31)33)18-6-4-5-17(27)12-18/h4-6,11-13H,7-10,14H2,1-3H3,(H,34,35)
InChIKeyPNGKLSFICDCUPN-UHFFFAOYSA-N
MW523.98 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid

1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 171523480) has the molecular formula C26H26ClN5O5 and a molecular weight of 523.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID171523480
Molecular FormulaC26H26ClN5O5
Molecular Weight523.98 g/mol
Exact Mass523.16
IUPAC Name1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2cnc(N3CCc4c(C(=O)O)nn(-c5cccc(Cl)c5)c4C3=O)cc2C1
InChIInChI=1S/C26H26ClN5O5/c1-26(2,3)37-25(36)30-9-7-15-13-28-20(11-16(15)14-30)31-10-8-19-21(24(34)35)29-32(22(19)23(31)33)18-6-4-5-17(27)12-18/h4-6,11-13H,7-10,14H2,1-3H3,(H,34,35)
InChIKeyPNGKLSFICDCUPN-UHFFFAOYSA-N
XLogP4.11
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.98
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl 7-[1-(3-chlorophenyl)-3-ethoxycarbonyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 171523520
1-(3-chlorophenyl)-6-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 171523748
tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 83844719
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887
tert-butyl 6-(3-chlorophenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70276578
ethyl 6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1-(3-chlorophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 171523706
tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate;ethane
CID 178158418
tert-butyl 7-(4-chloro-2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168687211
tert-butyl 6-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143307369
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid
CID 67108071
tert-butyl 2-[4-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 126619006
tert-butyl 4-(1,5-diphenyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177339572

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 171523480) is 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCc2cnc(N3CCc4c(C(=O)O)nn(-c5cccc(Cl)c5)c4C3=O)cc2C1.
What is the InChIKey of 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is PNGKLSFICDCUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O5/c1-26(2,3)37-25(36)30-9-7-15-13-28-20(11-16(15)14-30)31-10-8-19-21(24(34)35)29-32(22(19)23(31)33)18-6-4-5-17(27)12-18/h4-6,11-13H,7-10,14H2,1-3H3,(H,34,35).
What are the key properties of 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 523.98 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-2,6-naphthyridin-3-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 171523480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).