7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C24H23FN6O — CID 156652502

IUPAC7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCc1ccn2c(-c3ccc(Nc4cccc(CN(C)C)n4)c4c3CNC4=O)cnc2c1F
InChIInChI=1S/C24H23FN6O/c1-14-9-10-31-19(12-26-23(31)22(14)25)16-7-8-18(21-17(16)11-27-24(21)32)29-20-6-4-5-15(28-20)13-30(2)3/h4-10,12H,11,13H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyAKBIGGBOXZRBGY-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.89
Rot. Bonds5

About 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 156652502) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID156652502
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
SMILESCc1ccn2c(-c3ccc(Nc4cccc(CN(C)C)n4)c4c3CNC4=O)cnc2c1F
InChIInChI=1S/C24H23FN6O/c1-14-9-10-31-19(12-26-23(31)22(14)25)16-7-8-18(21-17(16)11-27-24(21)32)29-20-6-4-5-15(28-20)13-30(2)3/h4-10,12H,11,13H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyAKBIGGBOXZRBGY-UHFFFAOYSA-N
XLogP3.89
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
CID 156651586
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-(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]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652153
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
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
7-[[6-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;formic acid
CID 175873797
7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 176618624
(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-[[(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
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

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 156652502) is 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is Cc1ccn2c(-c3ccc(Nc4cccc(CN(C)C)n4)c4c3CNC4=O)cnc2c1F.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is AKBIGGBOXZRBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-14-9-10-31-19(12-26-23(31)22(14)25)16-7-8-18(21-17(16)11-27-24(21)32)29-20-6-4-5-15(28-20)13-30(2)3/h4-10,12H,11,13H2,1-3H3,(H,27,32)(H,28,29).
What are the key properties of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?
7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 430.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-fluoro-7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 156652502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).