3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C16H20N8 — CID 143455061

IUPAC3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccnc(Nc2nc(N3CCNCC3)nc3c(C)[nH]nc23)c1
InChIInChI=1S/C16H20N8/c1-10-3-4-18-12(9-10)19-15-14-13(11(2)22-23-14)20-16(21-15)24-7-5-17-6-8-24/h3-4,9,17H,5-8H2,1-2H3,(H,22,23)(H,18,19,20,21)
InChIKeyCOFYFFKFRXOZFY-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.52
Rot. Bonds3

About 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 143455061) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID143455061
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccnc(Nc2nc(N3CCNCC3)nc3c(C)[nH]nc23)c1
InChIInChI=1S/C16H20N8/c1-10-3-4-18-12(9-10)19-15-14-13(11(2)22-23-14)20-16(21-15)24-7-5-17-6-8-24/h3-4,9,17H,5-8H2,1-2H3,(H,22,23)(H,18,19,20,21)
InChIKeyCOFYFFKFRXOZFY-UHFFFAOYSA-N
XLogP1.52
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine with MolForge

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Related Compounds

1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542
2-(azetidin-1-yl)-N-(4-methyl-2-pyridinyl)-6-piperidin-4-ylpyrimidin-4-amine
CID 86342169
N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylquinazolin-4-amine
CID 11990505
3-ethyl-1-(2-methoxyethyl)-N-(5-methyl-1H-pyrazol-3-yl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 58935460
1-(2-ethoxyethyl)-3-(ethoxymethyl)-5-(3-methylpiperazin-1-yl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine;dihydrochloride
CID 68889438
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11385153
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935458
3-ethoxy-1-(2-ethoxyethyl)-2-methyl-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)-3H-pyrazolo[4,3-d]pyrimidin-7-amine;dihydrochloride
CID 174483202
3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 87466229
7-methyl-N-(4-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 171795639
(E)-N-[2-(4,6-dimethyl-2-piperazin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]but-2-enamide
CID 122526793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 143455061) is 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is Cc1ccnc(Nc2nc(N3CCNCC3)nc3c(C)[nH]nc23)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is COFYFFKFRXOZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-10-3-4-18-12(9-10)19-15-14-13(11(2)22-23-14)20-16(21-15)24-7-5-17-6-8-24/h3-4,9,17H,5-8H2,1-2H3,(H,22,23)(H,18,19,20,21).
What are the key properties of 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 324.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 143455061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).