4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C26H25FN8O2 — CID 177261767

IUPAC4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2nc(Nc3cnc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)ccc2N2CCOCC2C1
InChIInChI=1S/C26H25FN8O2/c1-33-12-16-14-37-7-6-34(16)20-2-3-22(32-19(20)13-33)31-18-10-29-25(17-9-30-26(36)24(17)18)21-11-28-23-8-15(27)4-5-35(21)23/h2-5,8,10-11,16H,6-7,9,12-14H2,1H3,(H,30,36)(H,31,32)
InChIKeyGBUFWBXLZLWNOO-UHFFFAOYSA-N
MW500.54 g/mol
LogP2.57
Rot. Bonds3

About 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 177261767) has the molecular formula C26H25FN8O2 and a molecular weight of 500.54 g/mol. Its IUPAC name is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID177261767
Molecular FormulaC26H25FN8O2
Molecular Weight500.54 g/mol
Exact Mass500.21
IUPAC Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1Cc2nc(Nc3cnc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)ccc2N2CCOCC2C1
InChIInChI=1S/C26H25FN8O2/c1-33-12-16-14-37-7-6-34(16)20-2-3-22(32-19(20)13-33)31-18-10-29-25(17-9-30-26(36)24(17)18)21-11-28-23-8-15(27)4-5-35(21)23/h2-5,8,10-11,16H,6-7,9,12-14H2,1H3,(H,30,36)(H,31,32)
InChIKeyGBUFWBXLZLWNOO-UHFFFAOYSA-N
XLogP2.57
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 177261767) is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN1Cc2nc(Nc3cnc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)ccc2N2CCOCC2C1.
What is the InChIKey of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is GBUFWBXLZLWNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O2/c1-33-12-16-14-37-7-6-34(16)20-2-3-22(32-19(20)13-33)31-18-10-29-25(17-9-30-26(36)24(17)18)21-11-28-23-8-15(27)4-5-35(21)23/h2-5,8,10-11,16H,6-7,9,12-14H2,1H3,(H,30,36)(H,31,32).
What are the key properties of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 500.54 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(9-methyl-13-oxa-1,6,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-5-yl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 177261767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).