2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C26H26N4 — CID 134806175

IUPAC2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(CN2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)n1
InChIInChI=1S/C26H26N4/c1-19-10-8-13-22(27-19)18-29-16-9-17-30-26(29)25(20(2)28-30)24-15-7-6-14-23(24)21-11-4-3-5-12-21/h3-8,10-15H,9,16-18H2,1-2H3
InChIKeyCYZZGVRMOCXGQD-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.64
Rot. Bonds4

About 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134806175) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134806175
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(CN2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)n1
InChIInChI=1S/C26H26N4/c1-19-10-8-13-22(27-19)18-29-16-9-17-30-26(29)25(20(2)28-30)24-15-7-6-14-23(24)21-11-4-3-5-12-21/h3-8,10-15H,9,16-18H2,1-2H3
InChIKeyCYZZGVRMOCXGQD-UHFFFAOYSA-N
XLogP5.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
Pyridazino(4,3-c)isoquinolin-6-amine, N,N-dimethyl-3-phenyl-
CID 13526624
Pyridazino(4,3-c)isoquinoline, 6-(ethylmethylamino)-3-phenyl-
CID 13526625
Pyridazino(4,3-c)isoquinoline, 3-phenyl-6-(1-pyrrolidinyl)-
CID 13526627
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
Pyridazino(4,3-c)isoquinoline, 3-methyl-6-(1-pyrrolidinyl)-
CID 13526640
Pyrazolo[1,5-a]-1,3,5-triazine, 13-4
CID 42618210
Pyrazolo[1,5-a]-1,3,5-triazine, 13-5
CID 42618211
Pyrazolo[1,5-a]-1,3,5-triazine, 13-6
CID 42618212
Pyrazolo[1,5-a]-1,3,5-triazine, 13-7
CID 42618213
5-Methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134806175) is 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is Cc1cccc(CN2CCCn3nc(C)c(-c4ccccc4-c4ccccc4)c32)n1.
What is the InChIKey of 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is CYZZGVRMOCXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-19-10-8-13-22(27-19)18-29-16-9-17-30-26(29)25(20(2)28-30)24-15-7-6-14-23(24)21-11-4-3-5-12-21/h3-8,10-15H,9,16-18H2,1-2H3.
What are the key properties of 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 394.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134806175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).