7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid

C27H27FN8O3 — CID 175873797

IUPAC7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid
SMILESCc1ccn2c(-c3ncc(Nc4cccc(N5CCC6CNCC65)n4)c4c3CNC4=O)cnc2c1F.O=CO
InChIInChI=1S/C26H25FN8O.CH2O2/c1-14-5-7-35-19(13-30-25(35)23(14)27)24-16-10-31-26(36)22(16)17(11-29-24)32-20-3-2-4-21(33-20)34-8-6-15-9-28-12-18(15)34;2-1-3/h2-5,7,11,13,15,18,28H,6,8-10,12H2,1H3,(H,31,36)(H,32,33);1H,(H,2,3)
InChIKeyZPCCNZDYEYWJAV-UHFFFAOYSA-N
MW530.56 g/mol
LogP2.72
Rot. Bonds4

About 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid

7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid (PubChem CID 175873797) has the molecular formula C27H27FN8O3 and a molecular weight of 530.56 g/mol. Its IUPAC name is 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid.

Molecular Properties

Compound Name7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid
PubChem CID175873797
Molecular FormulaC27H27FN8O3
Molecular Weight530.56 g/mol
Exact Mass530.22
IUPAC Name7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid
SMILESCc1ccn2c(-c3ncc(Nc4cccc(N5CCC6CNCC65)n4)c4c3CNC4=O)cnc2c1F.O=CO
InChIInChI=1S/C26H25FN8O.CH2O2/c1-14-5-7-35-19(13-30-25(35)23(14)27)24-16-10-31-26(36)22(16)17(11-29-24)32-20-3-2-4-21(33-20)34-8-6-15-9-28-12-18(15)34;2-1-3/h2-5,7,11,13,15,18,28H,6,8-10,12H2,1H3,(H,31,36)(H,32,33);1H,(H,2,3)
InChIKeyZPCCNZDYEYWJAV-UHFFFAOYSA-N
XLogP2.72
TPSA136.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid?
The IUPAC name of 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid (CID 175873797) is 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid.
What is the SMILES notation for 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid?
The canonical SMILES for 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid is Cc1ccn2c(-c3ncc(Nc4cccc(N5CCC6CNCC65)n4)c4c3CNC4=O)cnc2c1F.O=CO.
What is the InChIKey of 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid?
The InChIKey is ZPCCNZDYEYWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O.CH2O2/c1-14-5-7-35-19(13-30-25(35)23(14)27)24-16-10-31-26(36)22(16)17(11-29-24)32-20-3-2-4-21(33-20)34-8-6-15-9-28-12-18(15)34;2-1-3/h2-5,7,11,13,15,18,28H,6,8-10,12H2,1H3,(H,31,36)(H,32,33);1H,(H,2,3).
What are the key properties of 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid?
7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid has a molecular weight of 530.56 g/mol, XLogP of 2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid is sourced from PubChem (CID 175873797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).