1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

C25H27N5 — CID 155528164

IUPAC1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCCc3ccccc3)nc(/C=C/c3ccccc3)nc12
InChIInChI=1S/C25H27N5/c1-3-10-21-23-24(30(2)29-21)25(26-18-17-20-13-8-5-9-14-20)28-22(27-23)16-15-19-11-6-4-7-12-19/h4-9,11-16H,3,10,17-18H2,1-2H3,(H,26,27,28)/b16-15+
InChIKeyKJVQURNNCBPBQT-FOCLMDBBSA-N
MW397.53 g/mol
LogP5.14
Rot. Bonds8

About 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 155528164) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID155528164
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCCc3ccccc3)nc(/C=C/c3ccccc3)nc12
InChIInChI=1S/C25H27N5/c1-3-10-21-23-24(30(2)29-21)25(26-18-17-20-13-8-5-9-14-20)28-22(27-23)16-15-19-11-6-4-7-12-19/h4-9,11-16H,3,10,17-18H2,1-2H3,(H,26,27,28)/b16-15+
InChIKeyKJVQURNNCBPBQT-FOCLMDBBSA-N
XLogP5.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine 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

1-methyl-N-(2-phenylethyl)-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 175137969
N-[(4-fluorophenyl)methyl]-1-methyl-3-propyl-5-[2-(3,5,6-trimethylpyrazin-2-yl)ethenyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 175139718
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
1-methyl-5-[(E)-2-phenylethenyl]-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137007127
N-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 141034362
4-[1-methyl-3-propyl-5-(2-pyridin-3-ylethenyl)pyrazolo[4,5-d]pyrimidin-7-yl]-1,4-thiazinane 1,1-dioxide
CID 175146777
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
5-[7-[(3-methoxyphenyl)methylamino]-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl]pentanoic acid
CID 23499002
2-chloro-4-[(1-methyl-5-phenyl-3-propylpyrazolo[4,5-d]pyrimidin-7-yl)amino]phenol;hydrochloride
CID 135424677
5-[2-(3,4-diethoxyphenyl)ethylamino]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135907855
6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine
CID 82459378
N,5-bis(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 11509910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (CID 155528164) is 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NCCc3ccccc3)nc(/C=C/c3ccccc3)nc12.
What is the InChIKey of 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KJVQURNNCBPBQT-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H27N5/c1-3-10-21-23-24(30(2)29-21)25(26-18-17-20-13-8-5-9-14-20)28-22(27-23)16-15-19-11-6-4-7-12-19/h4-9,11-16H,3,10,17-18H2,1-2H3,(H,26,27,28)/b16-15+.
What are the key properties of 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 397.53 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-phenylethenyl]-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 155528164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).