5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C21H21N5O — CID 118708235

IUPAC5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24)
InChIKeyPPZARYOCIWUJNS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.58
Rot. Bonds6

About 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708235) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708235
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24)
InChIKeyPPZARYOCIWUJNS-UHFFFAOYSA-N
XLogP3.58
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Taletrectinib
CID 72202474
Unii-XX8E5WP7FS
CID 118009787
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Methyl substituted pyrazole, 27
CID 23648674
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708235) is 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccccc1CCCc1nc(N)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is PPZARYOCIWUJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-27-18-12-6-5-8-15(18)9-7-13-19-23-17-14-26(16-10-3-2-4-11-16)25-20(17)21(22)24-19/h2-6,8,10-12,14H,7,9,13H2,1H3,(H2,22,23,24).
What are the key properties of 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 359.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).