1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C24H26N6 — CID 90446756

IUPAC1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nn(C3CCCN(Cc4ccccc4)C3)c3ncnc(N)c23)cc1
InChIInChI=1S/C24H26N6/c1-17-9-11-19(12-10-17)22-21-23(25)26-16-27-24(21)30(28-22)20-8-5-13-29(15-20)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,16,20H,5,8,13-15H2,1H3,(H2,25,26,27)
InChIKeyFLKHHEAOKXKNIE-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.22
Rot. Bonds4

About 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 90446756) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID90446756
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nn(C3CCCN(Cc4ccccc4)C3)c3ncnc(N)c23)cc1
InChIInChI=1S/C24H26N6/c1-17-9-11-19(12-10-17)22-21-23(25)26-16-27-24(21)30(28-22)20-8-5-13-29(15-20)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,16,20H,5,8,13-15H2,1H3,(H2,25,26,27)
InChIKeyFLKHHEAOKXKNIE-UHFFFAOYSA-N
XLogP4.22
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]acetonitrile
CID 141477846
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778
1-[3-[4-amino-3-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 86290684
2-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-N-hydroxyacetamide
CID 151590383
1-[3-[4-amino-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130203482
3-(4-phenoxyphenyl)-1-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362318
tert-butyl N-[1-[(3R)-1-benzylpiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 171042836
1-[3-[4-amino-3-[4-[(2-methylmorpholin-4-yl)methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 86290433
3-amino-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-ol
CID 134224451
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 118253311
3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-sulfinate
CID 175093097

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 90446756) is 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-c2nn(C3CCCN(Cc4ccccc4)C3)c3ncnc(N)c23)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FLKHHEAOKXKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-9-11-19(12-10-17)22-21-23(25)26-16-27-24(21)30(28-22)20-8-5-13-29(15-20)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,16,20H,5,8,13-15H2,1H3,(H2,25,26,27).
What are the key properties of 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 398.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90446756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).