4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine

C26H28FN7O2 — CID 156652343

IUPAC4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
SMILESCNC.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CCOCC4)cn3)c21
InChIInChI=1S/C24H21FN6O2.C2H7N/c25-15-5-6-31-20(14-27-22(31)11-15)17-2-3-19(23-18(17)13-28-24(23)32)29-21-4-1-16(12-26-21)30-7-9-33-10-8-30;1-3-2/h1-6,11-12,14H,7-10,13H2,(H,26,29)(H,28,32);3H,1-2H3
InChIKeyLJPAIEKGGQQPKI-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.19
Rot. Bonds4

About 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine

4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine (PubChem CID 156652343) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine.

Molecular Properties

Compound Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
PubChem CID156652343
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
SMILESCNC.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CCOCC4)cn3)c21
InChIInChI=1S/C24H21FN6O2.C2H7N/c25-15-5-6-31-20(14-27-22(31)11-15)17-2-3-19(23-18(17)13-28-24(23)32)29-21-4-1-16(12-26-21)30-7-9-33-10-8-30;1-3-2/h1-6,11-12,14H,7-10,13H2,(H,26,29)(H,28,32);3H,1-2H3
InChIKeyLJPAIEKGGQQPKI-UHFFFAOYSA-N
XLogP3.19
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine with MolForge

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Related Compounds

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
4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 158609576
3-[6-[4-[2-[1-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 172576077
(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-[(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
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
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
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]-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-[(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

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine?
The IUPAC name of 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) is 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine.
What is the SMILES notation for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine?
The canonical SMILES for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine is CNC.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CCOCC4)cn3)c21.
What is the InChIKey of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine?
The InChIKey is LJPAIEKGGQQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2.C2H7N/c25-15-5-6-31-20(14-27-22(31)11-15)17-2-3-19(23-18(17)13-28-24(23)32)29-21-4-1-16(12-26-21)30-7-9-33-10-8-30;1-3-2/h1-6,11-12,14H,7-10,13H2,(H,26,29)(H,28,32);3H,1-2H3.
What are the key properties of 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine?
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine has a molecular weight of 489.56 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine is sourced from PubChem (CID 156652343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).