2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C22H24F2N6 — CID 126933134

IUPAC2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)n(-c2cc(N3CC4CN(Cc5cc(F)ccc5F)CC4C3)ncn2)n1
InChIInChI=1S/C22H24F2N6/c1-14-5-15(2)30(27-14)22-7-21(25-13-26-22)29-11-17-9-28(10-18(17)12-29)8-16-6-19(23)3-4-20(16)24/h3-7,13,17-18H,8-12H2,1-2H3
InChIKeyQNLVTGPGPSJZNL-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.13
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933134) has the molecular formula C22H24F2N6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933134
Molecular FormulaC22H24F2N6
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(C)n(-c2cc(N3CC4CN(Cc5cc(F)ccc5F)CC4C3)ncn2)n1
InChIInChI=1S/C22H24F2N6/c1-14-5-15(2)30(27-14)22-7-21(25-13-26-22)29-11-17-9-28(10-18(17)12-29)8-16-6-19(23)3-4-20(16)24/h3-7,13,17-18H,8-12H2,1-2H3
InChIKeyQNLVTGPGPSJZNL-UHFFFAOYSA-N
XLogP3.13
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933230
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933185
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933126
4-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]morpholine
CID 126933129
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933117
(3aS,5S,6R,7aR)-2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77086900
1-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrrolidin-2-one
CID 126933238
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346859
4-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-1,4-oxazepan-3-one
CID 126933234
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933102
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346814
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933134) is 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(C)n(-c2cc(N3CC4CN(Cc5cc(F)ccc5F)CC4C3)ncn2)n1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is QNLVTGPGPSJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6/c1-14-5-15(2)30(27-14)22-7-21(25-13-26-22)29-11-17-9-28(10-18(17)12-29)8-16-6-19(23)3-4-20(16)24/h3-7,13,17-18H,8-12H2,1-2H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 410.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).