(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C25H23N3O3 — CID 40771955

IUPAC(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-16-24(17-8-5-4-6-9-17)25-26-19(18-11-12-22(29-2)23(14-18)30-3)15-20(28(25)27-16)21-10-7-13-31-21/h4-14,20H,15H2,1-3H3/t20-/m0/s1
InChIKeyGWNWTRCKRYNTBQ-FQEVSTJZSA-N
MW413.48 g/mol
LogP5.58
Rot. Bonds5

About (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 40771955) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID40771955
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-16-24(17-8-5-4-6-9-17)25-26-19(18-11-12-22(29-2)23(14-18)30-3)15-20(28(25)27-16)21-10-7-13-31-21/h4-14,20H,15H2,1-3H3/t20-/m0/s1
InChIKeyGWNWTRCKRYNTBQ-FQEVSTJZSA-N
XLogP5.58
TPSA61.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[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

Related Compounds

(7R)-7-(furan-2-yl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 27511647
(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7358868
(7R)-5-(furan-2-yl)-3-(4-methoxyphenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7708607
(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 40696761
5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17121149
(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 41352592
(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182684
4-(3,4-dimethoxyphenyl)-2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 52532462
4-(3,4-dimethoxyphenyl)-2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 51109712
(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182739
(7S)-3-(4-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182717
7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067733

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 40771955) is (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC.
What is the InChIKey of (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GWNWTRCKRYNTBQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-24(17-8-5-4-6-9-17)25-26-19(18-11-12-22(29-2)23(14-18)30-3)15-20(28(25)27-16)21-10-7-13-31-21/h4-14,20H,15H2,1-3H3/t20-/m0/s1.
What are the key properties of (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 413.48 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 40771955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).