1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H21N7O — CID 136663654

IUPAC1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc2[nH]c(CCN(C)Cc3nc4c(cnn4C)c(=O)[nH]3)nc12
InChIInChI=1S/C18H21N7O/c1-11-5-4-6-13-16(11)21-14(20-13)7-8-24(2)10-15-22-17-12(18(26)23-15)9-19-25(17)3/h4-6,9H,7-8,10H2,1-3H3,(H,20,21)(H,22,23,26)
InChIKeyHDAZQRGHTAAVMJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.52
Rot. Bonds5

About 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136663654) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136663654
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc2[nH]c(CCN(C)Cc3nc4c(cnn4C)c(=O)[nH]3)nc12
InChIInChI=1S/C18H21N7O/c1-11-5-4-6-13-16(11)21-14(20-13)7-8-24(2)10-15-22-17-12(18(26)23-15)9-19-25(17)3/h4-6,9H,7-8,10H2,1-3H3,(H,20,21)(H,22,23,26)
InChIKeyHDAZQRGHTAAVMJ-UHFFFAOYSA-N
XLogP1.52
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136663654) is 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc2[nH]c(CCN(C)Cc3nc4c(cnn4C)c(=O)[nH]3)nc12.
What is the InChIKey of 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HDAZQRGHTAAVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-5-4-6-13-16(11)21-14(20-13)7-8-24(2)10-15-22-17-12(18(26)23-15)9-19-25(17)3/h4-6,9H,7-8,10H2,1-3H3,(H,20,21)(H,22,23,26).
What are the key properties of 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 351.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[methyl-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136663654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).