3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

C23H30N4O2 — CID 168934278

IUPAC3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(CNc2nccc3n[nH]c(C4CCCCCCC4)c23)c(OC)c1
InChIInChI=1S/C23H30N4O2/c1-28-18-11-10-17(20(14-18)29-2)15-25-23-21-19(12-13-24-23)26-27-22(21)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyKPHZVETUXSFANA-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.42
Rot. Bonds6

About 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine

3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 168934278) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID168934278
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCOc1ccc(CNc2nccc3n[nH]c(C4CCCCCCC4)c23)c(OC)c1
InChIInChI=1S/C23H30N4O2/c1-28-18-11-10-17(20(14-18)29-2)15-25-23-21-19(12-13-24-23)26-27-22(21)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyKPHZVETUXSFANA-UHFFFAOYSA-N
XLogP5.42
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
CID 160683192
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 139004064
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 171091121
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
CID 163207711
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
CID 162376872
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178132467
ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168946264

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 168934278) is 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is COc1ccc(CNc2nccc3n[nH]c(C4CCCCCCC4)c23)c(OC)c1.
What is the InChIKey of 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is KPHZVETUXSFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-28-18-11-10-17(20(14-18)29-2)15-25-23-21-19(12-13-24-23)26-27-22(21)16-8-6-4-3-5-7-9-16/h10-14,16H,3-9,15H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine?
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 394.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 168934278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).