5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole

C18H18FN5 — CID 56710362

IUPAC5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1ncc(C)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C18H18FN5/c1-12-7-20-13(2)22-18(12)23-10-15-8-21-24(17(15)11-23)9-14-3-5-16(19)6-4-14/h3-8H,9-11H2,1-2H3
InChIKeyAGVPGEZIZMQPRS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.00
Rot. Bonds3

About 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole

5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 56710362) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID56710362
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1ncc(C)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C18H18FN5/c1-12-7-20-13(2)22-18(12)23-10-15-8-21-24(17(15)11-23)9-14-3-5-16(19)6-4-14/h3-8H,9-11H2,1-2H3
InChIKeyAGVPGEZIZMQPRS-UHFFFAOYSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole with MolForge

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Related Compounds

Adipiplon
CID 11198924
(R)-Zinc-3573
CID 95882507
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
(3r)-1-{3-[5-(4-Ethylphenyl)-1-Methyl-1h-Pyrazol-4-Yl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl}-N,N-Dimethylpyrrolidin-3-Amine
CID 90654177
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
4-(Azetidin-1-yl)-7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazine
CID 60149170
PF-05270430
CID 68181896
(S)-Zinc-5373
CID 95882508

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 56710362) is 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole is Cc1ncc(C)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1.
What is the InChIKey of 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is AGVPGEZIZMQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-12-7-20-13(2)22-18(12)23-10-15-8-21-24(17(15)11-23)9-14-3-5-16(19)6-4-14/h3-8H,9-11H2,1-2H3.
What are the key properties of 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 323.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 56710362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).