(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C25H22N4 — CID 40696761

IUPAC(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@@H](c3ccncc3)C2)cc1
InChIInChI=1S/C25H22N4/c1-17-8-10-19(11-9-17)22-16-23(20-12-14-26-15-13-20)29-25(27-22)24(18(2)28-29)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3/t23-/m1/s1
InChIKeyPFGFEQAFWOJRKB-HSZRJFAPSA-N
MW378.48 g/mol
LogP5.68
Rot. Bonds3

About (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine

(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 40696761) has the molecular formula C25H22N4 and a molecular weight of 378.48 g/mol. Its IUPAC name is (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID40696761
Molecular FormulaC25H22N4
Molecular Weight378.48 g/mol
Exact Mass378.18
IUPAC Name(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@@H](c3ccncc3)C2)cc1
InChIInChI=1S/C25H22N4/c1-17-8-10-19(11-9-17)22-16-23(20-12-14-26-15-13-20)29-25(27-22)24(18(2)28-29)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3/t23-/m1/s1
InChIKeyPFGFEQAFWOJRKB-HSZRJFAPSA-N
XLogP5.68
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17121149
(7R)-2-methyl-5-(3-nitrophenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182684
(7S)-3-(4-chlorophenyl)-2-methyl-5-naphthalen-2-yl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 41352592
(7R)-5-(furan-2-yl)-3-(4-methoxyphenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7708607
2-(4-methylphenyl)-5,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222324
(7S)-5-(3,4-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 40771955
(7S)-3-(4-methoxyphenyl)-2-methyl-5-(3-nitrophenyl)-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182717
7-(4-chlorophenyl)-2-(4-methylphenyl)-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139222328
(7R)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182228
(7S)-3-(4-chlorophenyl)-5-(furan-2-yl)-2-methyl-7-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182739
(7R)-3-(4-chlorophenyl)-5,7-bis(furan-2-yl)-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 7358868
(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine
CID 7392449

Frequently Asked Questions

What is the IUPAC name of (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 40696761) is (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@@H](c3ccncc3)C2)cc1.
What is the InChIKey of (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PFGFEQAFWOJRKB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22N4/c1-17-8-10-19(11-9-17)22-16-23(20-12-14-26-15-13-20)29-25(27-22)24(18(2)28-29)21-6-4-3-5-7-21/h3-15,23H,16H2,1-2H3/t23-/m1/s1.
What are the key properties of (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
(7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 378.48 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-methyl-5-(4-methylphenyl)-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 40696761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).