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

C25H21F3N6O — CID 156651773

IUPAC7-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3cccc(CN4CCC(F)(F)C4)n3)c21
InChIInChI=1S/C25H21F3N6O/c26-15-6-8-34-20(12-29-22(34)10-15)17-4-5-19(23-18(17)11-30-24(23)35)32-21-3-1-2-16(31-21)13-33-9-7-25(27,28)14-33/h1-6,8,10,12H,7,9,11,13-14H2,(H,30,35)(H,31,32)
InChIKeyMXLYFTPVUYQJDX-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.36
Rot. Bonds5

About 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

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 (PubChem CID 156651773) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID156651773
Molecular FormulaC25H21F3N6O
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name7-[[6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3cccc(CN4CCC(F)(F)C4)n3)c21
InChIInChI=1S/C25H21F3N6O/c26-15-6-8-34-20(12-29-22(34)10-15)17-4-5-19(23-18(17)11-30-24(23)35)32-21-3-1-2-16(31-21)13-33-9-7-25(27,28)14-33/h1-6,8,10,12H,7,9,11,13-14H2,(H,30,35)(H,31,32)
InChIKeyMXLYFTPVUYQJDX-UHFFFAOYSA-N
XLogP4.36
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
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
7-[[6-(methylaminomethyl)-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
CID 156652179
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-[[(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-[3-(methylaminomethyl)-4-[(3S)-oxolan-3-yl]anilino]-2,3-dihydroisoindol-1-one
CID 176618644
7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
CID 156651586
tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;methane;2-methylpropane;molecular hydrogen
CID 162124932
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3cccc(CN4CCC(F)(F)C4)n3)c21.
What is the InChIKey of 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?
The InChIKey is MXLYFTPVUYQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c26-15-6-8-34-20(12-29-22(34)10-15)17-4-5-19(23-18(17)11-30-24(23)35)32-21-3-1-2-16(31-21)13-33-9-7-25(27,28)14-33/h1-6,8,10,12H,7,9,11,13-14H2,(H,30,35)(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 478.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156651773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).