1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C19H25N9 — CID 155942665

IUPAC1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cc(N2CCCC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)n1
InChIInChI=1S/C19H25N9/c1-14-11-16(26-5-3-4-6-26)24-19(23-14)28-9-7-27(8-10-28)18-15-12-22-25(2)17(15)20-13-21-18/h11-13H,3-10H2,1-2H3
InChIKeyTWNPXTDZVYLMGT-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.39
Rot. Bonds3

About 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 155942665) has the molecular formula C19H25N9 and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID155942665
Molecular FormulaC19H25N9
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1cc(N2CCCC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)n1
InChIInChI=1S/C19H25N9/c1-14-11-16(26-5-3-4-6-26)24-19(23-14)28-9-7-27(8-10-28)18-15-12-22-25(2)17(15)20-13-21-18/h11-13H,3-10H2,1-2H3
InChIKeyTWNPXTDZVYLMGT-UHFFFAOYSA-N
XLogP1.39
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 107407344
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870068
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 155942665) is 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1cc(N2CCCC2)nc(N2CCN(c3ncnc4c3cnn4C)CC2)n1.
What is the InChIKey of 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is TWNPXTDZVYLMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9/c1-14-11-16(26-5-3-4-6-26)24-19(23-14)28-9-7-27(8-10-28)18-15-12-22-25(2)17(15)20-13-21-18/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 379.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155942665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).