[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone

C26H25FN6O — CID 170965333

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4c(-c5ccccc5F)nc5ccccn45)CC3C2)n1
InChIInChI=1S/C26H25FN6O/c1-16-11-17(2)29-26(28-16)32-14-18-12-31(13-19(18)15-32)25(34)24-23(20-7-3-4-8-21(20)27)30-22-9-5-6-10-33(22)24/h3-11,18-19H,12-15H2,1-2H3
InChIKeyXKCRBMAKEWGVQR-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.76
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 170965333) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID170965333
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4c(-c5ccccc5F)nc5ccccn45)CC3C2)n1
InChIInChI=1S/C26H25FN6O/c1-16-11-17(2)29-26(28-16)32-14-18-12-31(13-19(18)15-32)25(34)24-23(20-7-3-4-8-21(20)27)30-22-9-5-6-10-33(22)24/h3-11,18-19H,12-15H2,1-2H3
InChIKeyXKCRBMAKEWGVQR-UHFFFAOYSA-N
XLogP3.76
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone with MolForge

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Related Compounds

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116901
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 67116830
[2-(4,6-dimethyl(213C,1,3-15N2)pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
CID 130416230
[(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-methylphenyl)indolizin-1-yl]methanone
CID 172549894
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-yl)methanone
CID 52917162
(1-bromonaphthalen-2-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116806
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(4-fluoro-1H-pyrazol-5-yl)phenyl]methanone
CID 70981830
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 121197401
[(3aS,6aS)-2-(4,6-dimethoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 124565161
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 52917537
[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 71470714

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 170965333) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4c(-c5ccccc5F)nc5ccccn45)CC3C2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is XKCRBMAKEWGVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-16-11-17(2)29-26(28-16)32-14-18-12-31(13-19(18)15-32)25(34)24-23(20-7-3-4-8-21(20)27)30-22-9-5-6-10-33(22)24/h3-11,18-19H,12-15H2,1-2H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 456.53 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 170965333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).