5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide

C22H24FN7O — CID 166507512

IUPAC5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CC5CN(C6CC6)CC5C4)cn3)cc(F)c2n1
InChIInChI=1S/C22H24FN7O/c1-13-7-30-12-16(4-18(23)21(30)26-13)27-22(31)19-5-25-20(6-24-19)29-10-14-8-28(17-2-3-17)9-15(14)11-29/h4-7,12,14-15,17H,2-3,8-11H2,1H3,(H,27,31)
InChIKeyDQXLGPIPZMZNGX-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.35
Rot. Bonds4

About 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide

5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507512) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
PubChem CID166507512
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CC5CN(C6CC6)CC5C4)cn3)cc(F)c2n1
InChIInChI=1S/C22H24FN7O/c1-13-7-30-12-16(4-18(23)21(30)26-13)27-22(31)19-5-25-20(6-24-19)29-10-14-8-28(17-2-3-17)9-15(14)11-29/h4-7,12,14-15,17H,2-3,8-11H2,1H3,(H,27,31)
InChIKeyDQXLGPIPZMZNGX-UHFFFAOYSA-N
XLogP2.35
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide (CID 166507512) is 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CC5CN(C6CC6)CC5C4)cn3)cc(F)c2n1.
What is the InChIKey of 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
The InChIKey is DQXLGPIPZMZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-13-7-30-12-16(4-18(23)21(30)26-13)27-22(31)19-5-25-20(6-24-19)29-10-14-8-28(17-2-3-17)9-15(14)11-29/h4-7,12,14-15,17H,2-3,8-11H2,1H3,(H,27,31).
What are the key properties of 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?
5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).