7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one

C25H23N7O2 — CID 166682727

IUPAC7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cnccn34)ccc(Nc3ccc(N4CC5COC[C@H]5C4)cn3)c21
InChIInChI=1S/C25H23N7O2/c33-25-24-19(8-29-25)18(21-9-28-23-10-26-5-6-32(21)23)2-3-20(24)30-22-4-1-17(7-27-22)31-11-15-13-34-14-16(15)12-31/h1-7,9-10,15-16H,8,11-14H2,(H,27,30)(H,29,33)/t15-,16?/m1/s1
InChIKeyOLLXOIOWQTYNAO-AAFJCEBUSA-N
MW453.51 g/mol
LogP2.86
Rot. Bonds4

About 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one

7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 166682727) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
PubChem CID166682727
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cnccn34)ccc(Nc3ccc(N4CC5COC[C@H]5C4)cn3)c21
InChIInChI=1S/C25H23N7O2/c33-25-24-19(8-29-25)18(21-9-28-23-10-26-5-6-32(21)23)2-3-20(24)30-22-4-1-17(7-27-22)31-11-15-13-34-14-16(15)12-31/h1-7,9-10,15-16H,8,11-14H2,(H,27,30)(H,29,33)/t15-,16?/m1/s1
InChIKeyOLLXOIOWQTYNAO-AAFJCEBUSA-N
XLogP2.86
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
CID 167295625
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-[[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
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-(oxan-4-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-imidazo[1,2-a]pyrazin-3-yl-7-[[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 160640306
4-(2,3-dimethylimidazol-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one
CID 164927100
(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
7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
4-imidazo[1,2-a]pyridin-3-yl-7-[(5-piperidin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;propan-2-ol
CID 156652086
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-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
CID 164926538
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

Frequently Asked Questions

What is the IUPAC name of 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one (CID 166682727) is 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one is O=C1NCc2c(-c3cnc4cnccn34)ccc(Nc3ccc(N4CC5COC[C@H]5C4)cn3)c21.
What is the InChIKey of 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is OLLXOIOWQTYNAO-AAFJCEBUSA-N. The full InChI is InChI=1S/C25H23N7O2/c33-25-24-19(8-29-25)18(21-9-28-23-10-26-5-6-32(21)23)2-3-20(24)30-22-4-1-17(7-27-22)31-11-15-13-34-14-16(15)12-31/h1-7,9-10,15-16H,8,11-14H2,(H,27,30)(H,29,33)/t15-,16?/m1/s1.
What are the key properties of 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 453.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 166682727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).