3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine

C29H34N6O — CID 22037830

IUPAC3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
SMILESCN1CCC(N2CCC(c3nn(-c4ccc(Oc5ccccc5)cc4)c4c(N)nccc34)CC2)CC1
InChIInChI=1S/C29H34N6O/c1-33-17-14-22(15-18-33)34-19-12-21(13-20-34)27-26-11-16-31-29(30)28(26)35(32-27)23-7-9-25(10-8-23)36-24-5-3-2-4-6-24/h2-11,16,21-22H,12-15,17-20H2,1H3,(H2,30,31)
InChIKeyAUBQCCMSIYFYTO-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.07
Rot. Bonds5

About 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine

3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine (PubChem CID 22037830) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine.

Molecular Properties

Compound Name3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
PubChem CID22037830
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC Name3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
SMILESCN1CCC(N2CCC(c3nn(-c4ccc(Oc5ccccc5)cc4)c4c(N)nccc34)CC2)CC1
InChIInChI=1S/C29H34N6O/c1-33-17-14-22(15-18-33)34-19-12-21(13-20-34)27-26-11-16-31-29(30)28(26)35(32-27)23-7-9-25(10-8-23)36-24-5-3-2-4-6-24/h2-11,16,21-22H,12-15,17-20H2,1H3,(H2,30,31)
InChIKeyAUBQCCMSIYFYTO-UHFFFAOYSA-N
XLogP5.07
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopentyl-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine
CID 22037819
[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 118193812
1-[(3R)-3-[7-amino-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 122636473
tris(2-hydroxybutanedioic acid);1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159386568
1-(4-phenoxyphenyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-c]pyridin-3-amine
CID 154275938
(E)-but-2-enedioic acid;1-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)indazole
CID 14032529
1-methyl-4-[4-[3-(4-phenoxyphenyl)pyrrol-1-yl]cyclohexyl]piperazine
CID 156724503
4-isocyano-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazol-5-amine
CID 167362366
ethane;1-[4-[3-methyl-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 158383474
1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
CID 173450913
1-[3-(4-methylpiperazin-1-yl)cyclobutyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22347356
tert-butyl 3-[4-[4-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]piperidin-1-yl]piperidin-1-yl]azetidine-1-carboxylate
CID 176903986

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
The IUPAC name of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine (CID 22037830) is 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine.
What is the SMILES notation for 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
The canonical SMILES for 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine is CN1CCC(N2CCC(c3nn(-c4ccc(Oc5ccccc5)cc4)c4c(N)nccc34)CC2)CC1.
What is the InChIKey of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
The InChIKey is AUBQCCMSIYFYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-33-17-14-22(15-18-33)34-19-12-21(13-20-34)27-26-11-16-31-29(30)28(26)35(32-27)23-7-9-25(10-8-23)36-24-5-3-2-4-6-24/h2-11,16,21-22H,12-15,17-20H2,1H3,(H2,30,31).
What are the key properties of 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine?
3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine has a molecular weight of 482.63 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridin-7-amine is sourced from PubChem (CID 22037830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).