8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline

C23H20N4O2 — CID 25285421

IUPAC8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline
SMILESc1cnc2c(CN3CCc4[nH]nc(-c5ccc6c(c5)OCO6)c4C3)cccc2c1
InChIInChI=1S/C23H20N4O2/c1-3-15-5-2-9-24-22(15)17(4-1)12-27-10-8-19-18(13-27)23(26-25-19)16-6-7-20-21(11-16)29-14-28-20/h1-7,9,11H,8,10,12-14H2,(H,25,26)
InChIKeyYJLOALKJGAFLDM-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.91
Rot. Bonds3

About 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline

8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline (PubChem CID 25285421) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline
PubChem CID25285421
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline
SMILESc1cnc2c(CN3CCc4[nH]nc(-c5ccc6c(c5)OCO6)c4C3)cccc2c1
InChIInChI=1S/C23H20N4O2/c1-3-15-5-2-9-24-22(15)17(4-1)12-27-10-8-19-18(13-27)23(26-25-19)16-6-7-20-21(11-16)29-14-28-20/h1-7,9,11H,8,10,12-14H2,(H,25,26)
InChIKeyYJLOALKJGAFLDM-UHFFFAOYSA-N
XLogP3.91
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline with MolForge

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Related Compounds

5-{5-[(2S)-2-amino-3-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731509
5-{5-[(2S)-2-amino-3-(2H-1,3-benzodioxol-5-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732418
5-{5-[(2S)-2-amino-3-(2,2,3,3-tetrafluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732419
N-[(E)-(3-methoxyphenyl)methyleneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
CID 9555453
N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
CID 9555458
1,3-Benzodioxole-5-carboxaldehyde, (6-methoxy-2-methyl-4-quinolinyl)hydrazone
CID 24806045
N-[(E)-(4-methoxyphenyl)methyleneamino]-[1,3]dioxolo[4,5-g]quinolin-8-amine
CID 44418613
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
CID 9555464
(S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine
CID 18715555
(1S)-5,7-dioxa-13,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-2,4(8),9,15(23),17,19,21-heptaene
CID 76071738
3-(4-Fluorophenyl)-7,8-dimethoxy-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2136917
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,3,4-tetrahydroacridin-9-amine
CID 9555482

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline?
The IUPAC name of 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline (CID 25285421) is 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline.
What is the SMILES notation for 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline?
The canonical SMILES for 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline is c1cnc2c(CN3CCc4[nH]nc(-c5ccc6c(c5)OCO6)c4C3)cccc2c1.
What is the InChIKey of 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline?
The InChIKey is YJLOALKJGAFLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-15-5-2-9-24-22(15)17(4-1)12-27-10-8-19-18(13-27)23(26-25-19)16-6-7-20-21(11-16)29-14-28-20/h1-7,9,11H,8,10,12-14H2,(H,25,26).
What are the key properties of 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline?
8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline has a molecular weight of 384.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(1,3-benzodioxol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]quinoline is sourced from PubChem (CID 25285421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).