(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C28H25N7O2 — CID 2428379

IUPAC(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C28H25N7O2/c1-18-9-11-19(12-10-18)23-16-24(35-28(29-23)30-32-33-35)22-17-34(21-7-5-4-6-8-21)31-27(22)20-13-14-25(36-2)26(15-20)37-3/h4-17,24H,1-3H3,(H,29,30,33)/t24-/m0/s1
InChIKeyIDXKNJBLVDARIV-DEOSSOPVSA-N
MW491.56 g/mol
LogP4.91
Rot. Bonds6

About (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 2428379) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID2428379
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC Name(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C28H25N7O2/c1-18-9-11-19(12-10-18)23-16-24(35-28(29-23)30-32-33-35)22-17-34(21-7-5-4-6-8-21)31-27(22)20-13-14-25(36-2)26(15-20)37-3/h4-17,24H,1-3H3,(H,29,30,33)/t24-/m0/s1
InChIKeyIDXKNJBLVDARIV-DEOSSOPVSA-N
XLogP4.91
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine 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 (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 2428379) is (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1OC.
What is the InChIKey of (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is IDXKNJBLVDARIV-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-18-9-11-19(12-10-18)23-16-24(35-28(29-23)30-32-33-35)22-17-34(21-7-5-4-6-8-21)31-27(22)20-13-14-25(36-2)26(15-20)37-3/h4-17,24H,1-3H3,(H,29,30,33)/t24-/m0/s1.
What are the key properties of (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 491.56 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2428379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).