1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

C21H19N5 — CID 133343935

IUPAC1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2CCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C21H19N5/c1-15-18-10-6-5-7-16(18)11-12-25(15)20-19-13-24-26(21(19)23-14-22-20)17-8-3-2-4-9-17/h2-10,13-15H,11-12H2,1H3
InChIKeySTBAFYZHVNKNMT-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.94
Rot. Bonds2

About 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 133343935) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID133343935
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2CCN1c1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C21H19N5/c1-15-18-10-6-5-7-16(18)11-12-25(15)20-19-13-24-26(21(19)23-14-22-20)17-8-3-2-4-9-17/h2-10,13-15H,11-12H2,1H3
InChIKeySTBAFYZHVNKNMT-UHFFFAOYSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94664592
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 78898491
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
(4S)-4-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 25316000
(4aS,8aR)-4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 97083241

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline (CID 133343935) is 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is CC1c2ccccc2CCN1c1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is STBAFYZHVNKNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15-18-10-6-5-7-16(18)11-12-25(15)20-19-13-24-26(21(19)23-14-22-20)17-8-3-2-4-9-17/h2-10,13-15H,11-12H2,1H3.
What are the key properties of 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline?
1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 341.42 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133343935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).