1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine

C24H27N7 — CID 102563411

IUPAC1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H27N7/c1-17(18-3-5-19(6-4-18)20-7-11-25-12-8-20)29-21-9-13-31(14-10-21)24-22-15-28-30(2)23(22)26-16-27-24/h3-8,11-12,15-17,21,29H,9-10,13-14H2,1-2H3
InChIKeyQHXMOCUGTAFEAE-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.74
Rot. Bonds5

About 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine (PubChem CID 102563411) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine
PubChem CID102563411
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine
SMILESCC(NC1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H27N7/c1-17(18-3-5-19(6-4-18)20-7-11-25-12-8-20)29-21-9-13-31(14-10-21)24-22-15-28-30(2)23(22)26-16-27-24/h3-8,11-12,15-17,21,29H,9-10,13-14H2,1-2H3
InChIKeyQHXMOCUGTAFEAE-UHFFFAOYSA-N
XLogP3.74
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine with MolForge

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Related Compounds

4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
CID 62593364
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 16618370
N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]propane-1-sulfonamide
CID 86776323
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
4-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 31290811
N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine
CID 75428536
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine (CID 102563411) is 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine is CC(NC1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine?
The InChIKey is QHXMOCUGTAFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-17(18-3-5-19(6-4-18)20-7-11-25-12-8-20)29-21-9-13-31(14-10-21)24-22-15-28-30(2)23(22)26-16-27-24/h3-8,11-12,15-17,21,29H,9-10,13-14H2,1-2H3.
What are the key properties of 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine?
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine has a molecular weight of 413.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 102563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).