7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

C24H23FN4O2 — CID 118041568

IUPAC7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCc1cc(F)c2nc(-c3cc4ccc(N5CCC6NCC[C@H]6C5)cc4oc3=O)cn2c1
InChIInChI=1S/C24H23FN4O2/c1-14-8-19(25)23-27-21(13-29(23)11-14)18-9-15-2-3-17(10-22(15)31-24(18)30)28-7-5-20-16(12-28)4-6-26-20/h2-3,8-11,13,16,20,26H,4-7,12H2,1H3/t16-,20?/m0/s1
InChIKeyMIKDMAMEJLKWBV-DJZRFWRSSA-N
MW418.47 g/mol
LogP3.74
Rot. Bonds2

About 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one

7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 118041568) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
PubChem CID118041568
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCc1cc(F)c2nc(-c3cc4ccc(N5CCC6NCC[C@H]6C5)cc4oc3=O)cn2c1
InChIInChI=1S/C24H23FN4O2/c1-14-8-19(25)23-27-21(13-29(23)11-14)18-9-15-2-3-17(10-22(15)31-24(18)30)28-7-5-20-16(12-28)4-6-26-20/h2-3,8-11,13,16,20,26H,4-7,12H2,1H3/t16-,20?/m0/s1
InChIKeyMIKDMAMEJLKWBV-DJZRFWRSSA-N
XLogP3.74
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 118041568) is 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is Cc1cc(F)c2nc(-c3cc4ccc(N5CCC6NCC[C@H]6C5)cc4oc3=O)cn2c1.
What is the InChIKey of 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The InChIKey is MIKDMAMEJLKWBV-DJZRFWRSSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14-8-19(25)23-27-21(13-29(23)11-14)18-9-15-2-3-17(10-22(15)31-24(18)30)28-7-5-20-16(12-28)4-6-26-20/h2-3,8-11,13,16,20,26H,4-7,12H2,1H3/t16-,20?/m0/s1.
What are the key properties of 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 418.47 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 118041568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).