1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one

C20H24N6O2 — CID 35187304

IUPAC1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1N1CCN(C(=O)CCn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-15-5-3-4-6-17(15)24-9-11-25(12-10-24)18(27)7-8-26-14-21-19-16(20(26)28)13-22-23(19)2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLPIKVZMYFXLOAV-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.18
Rot. Bonds4

About 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 35187304) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID35187304
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1N1CCN(C(=O)CCn2cnc3c(cnn3C)c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-15-5-3-4-6-17(15)24-9-11-25(12-10-24)18(27)7-8-26-14-21-19-16(20(26)28)13-22-23(19)2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLPIKVZMYFXLOAV-UHFFFAOYSA-N
XLogP1.18
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 35187304) is 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1N1CCN(C(=O)CCn2cnc3c(cnn3C)c2=O)CC1.
What is the InChIKey of 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LPIKVZMYFXLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-15-5-3-4-6-17(15)24-9-11-25(12-10-24)18(27)7-8-26-14-21-19-16(20(26)28)13-22-23(19)2/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 35187304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).