7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C25H21FN6O3 — CID 177262026

IUPAC7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc4c(n3)OC[C@H]3COCCN43)c21
InChIInChI=1S/C25H21FN6O3/c26-14-5-6-32-20(11-27-22(32)9-14)16-1-2-18(23-17(16)10-28-24(23)33)29-21-4-3-19-25(30-21)35-13-15-12-34-8-7-31(15)19/h1-6,9,11,15H,7-8,10,12-13H2,(H,28,33)(H,29,30)/t15-/m1/s1
InChIKeyHGNARJFKBILTIL-OAHLLOKOSA-N
MW472.48 g/mol
LogP3.12
Rot. Bonds3

About 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 177262026) has the molecular formula C25H21FN6O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID177262026
Molecular FormulaC25H21FN6O3
Molecular Weight472.48 g/mol
Exact Mass472.17
IUPAC Name7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc4c(n3)OC[C@H]3COCCN43)c21
InChIInChI=1S/C25H21FN6O3/c26-14-5-6-32-20(11-27-22(32)9-14)16-1-2-18(23-17(16)10-28-24(23)33)29-21-4-3-19-25(30-21)35-13-15-12-34-8-7-31(15)19/h1-6,9,11,15H,7-8,10,12-13H2,(H,28,33)(H,29,30)/t15-/m1/s1
InChIKeyHGNARJFKBILTIL-OAHLLOKOSA-N
XLogP3.12
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 177262026) is 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc4c(n3)OC[C@H]3COCCN43)c21.
What is the InChIKey of 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is HGNARJFKBILTIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H21FN6O3/c26-14-5-6-32-20(11-27-22(32)9-14)16-1-2-18(23-17(16)10-28-24(23)33)29-21-4-3-19-25(30-21)35-13-15-12-34-8-7-31(15)19/h1-6,9,11,15H,7-8,10,12-13H2,(H,28,33)(H,29,30)/t15-/m1/s1.
What are the key properties of 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 472.48 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(10R)-8,12-dioxa-1,6-diazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 177262026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).