(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one

C26H21FN6O3 — CID 177261819

IUPAC(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc4c(n3)CNC(=O)[C@@H]3COC[C@@H]43)c21
InChIInChI=1S/C26H21FN6O3/c27-13-5-6-33-21(10-28-23(33)7-13)15-1-3-19(24-16(15)8-29-26(24)35)31-22-4-2-14-17-11-36-12-18(17)25(34)30-9-20(14)32-22/h1-7,10,17-18H,8-9,11-12H2,(H,29,35)(H,30,34)(H,31,32)/t17-,18+/m0/s1
InChIKeyJXGIFMHVTXPGKY-ZWKOTPCHSA-N
MW484.49 g/mol
LogP2.88
Rot. Bonds3

About (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one

(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one (PubChem CID 177261819) has the molecular formula C26H21FN6O3 and a molecular weight of 484.49 g/mol. Its IUPAC name is (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one.

Molecular Properties

Compound Name(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
PubChem CID177261819
Molecular FormulaC26H21FN6O3
Molecular Weight484.49 g/mol
Exact Mass484.17
IUPAC Name(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc4c(n3)CNC(=O)[C@@H]3COC[C@@H]43)c21
InChIInChI=1S/C26H21FN6O3/c27-13-5-6-33-21(10-28-23(33)7-13)15-1-3-19(24-16(15)8-29-26(24)35)31-22-4-2-14-17-11-36-12-18(17)25(34)30-9-20(14)32-22/h1-7,10,17-18H,8-9,11-12H2,(H,29,35)(H,30,34)(H,31,32)/t17-,18+/m0/s1
InChIKeyJXGIFMHVTXPGKY-ZWKOTPCHSA-N
XLogP2.88
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one with MolForge

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Related Compounds

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[(2S,6S)-8-methyl-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-12-yl]amino]-2,3-dihydroisoindole-1-thione
CID 177261798
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
7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[6-[(3-fluoroazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 158936595
7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 167458653
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
CID 156652343
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[3-(methylaminomethyl)-4-[(3S)-oxolan-3-yl]anilino]-2,3-dihydroisoindol-1-one
CID 176618644
7-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156651773
7-[[6-[(dimethylamino)methyl]-5-(3-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156652082
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2R)-2-[(1S)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(2S)-2-[(1R)-1-hydroxyethyl]morpholin-4-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 157113393
7-[[4-[(1S)-1-(dimethylamino)ethyl]-5-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 176618632
7-[[4-[(1R)-1-(dimethylamino)ethyl]-5-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 176618626
7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
CID 156652179

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one?
The IUPAC name of (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one (CID 177261819) is (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one.
What is the SMILES notation for (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one?
The canonical SMILES for (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one is O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc4c(n3)CNC(=O)[C@@H]3COC[C@@H]43)c21.
What is the InChIKey of (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one?
The InChIKey is JXGIFMHVTXPGKY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C26H21FN6O3/c27-13-5-6-33-21(10-28-23(33)7-13)15-1-3-19(24-16(15)8-29-26(24)35)31-22-4-2-14-17-11-36-12-18(17)25(34)30-9-20(14)32-22/h1-7,10,17-18H,8-9,11-12H2,(H,29,35)(H,30,34)(H,31,32)/t17-,18+/m0/s1.
What are the key properties of (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one?
(2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one has a molecular weight of 484.49 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-12-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-4-oxa-8,11-diazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-7-one is sourced from PubChem (CID 177261819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).