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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine

C57H62FN13O5 — CID 172576173

IUPAC3-[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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine
SMILESC.C=C/C(=C/C)c1cnc2cc(N)ccn12.O=C1CCC(N2Cc3cc(N4CCN(CCOC5CCN(c6ccc(Nc7ccc(-c8cnc9cc(F)ccn89)c8c7C(=O)NC8)nc6)CC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C44H45FN10O5.C12H13N3.CH4/c45-28-9-14-54-37(25-47-39(54)22-28)33-4-5-35(41-34(33)24-48-43(41)58)49-38-7-2-30(23-46-38)52-12-10-31(11-13-52)60-20-19-51-15-17-53(18-16-51)29-1-3-32-27(21-29)26-55(44(32)59)36-6-8-40(56)50-42(36)57;1-3-9(4-2)11-8-14-12-7-10(13)5-6-15(11)12;/h1-5,7,9,14,21-23,25,31,36H,6,8,10-13,15-20,24,26H2,(H,46,49)(H,48,58)(H,50,56,57);3-8H,1,13H2,2H3;1H4/b;9-4-;
InChIKeyLYSPJFLQOHILAP-WTMTVGESSA-N
MW1028.21 g/mol
LogP7.23
Rot. Bonds12

About 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine

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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine (PubChem CID 172576173) has the molecular formula C57H62FN13O5 and a molecular weight of 1028.21 g/mol. Its IUPAC name is 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine
PubChem CID172576173
Molecular FormulaC57H62FN13O5
Molecular Weight1028.21 g/mol
Exact Mass1027.50
IUPAC Name3-[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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine
SMILESC.C=C/C(=C/C)c1cnc2cc(N)ccn12.O=C1CCC(N2Cc3cc(N4CCN(CCOC5CCN(c6ccc(Nc7ccc(-c8cnc9cc(F)ccn89)c8c7C(=O)NC8)nc6)CC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C44H45FN10O5.C12H13N3.CH4/c45-28-9-14-54-37(25-47-39(54)22-28)33-4-5-35(41-34(33)24-48-43(41)58)49-38-7-2-30(23-46-38)52-12-10-31(11-13-52)60-20-19-51-15-17-53(18-16-51)29-1-3-32-27(21-29)26-55(44(32)59)36-6-8-40(56)50-42(36)57;1-3-9(4-2)11-8-14-12-7-10(13)5-6-15(11)12;/h1-5,7,9,14,21-23,25,31,36H,6,8,10-13,15-20,24,26H2,(H,46,49)(H,48,58)(H,50,56,57);3-8H,1,13H2,2H3;1H4/b;9-4-;
InChIKeyLYSPJFLQOHILAP-WTMTVGESSA-N
XLogP7.23
TPSA200.07 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.21
LogP ≤ 57.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine with MolForge

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Related Compounds

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
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
ethyl 4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
CID 178161175
3-[3-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154670400
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[3-oxo-6-(4-pentylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178099790
3-[6-[4-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171514857
3-[6-[4-[2-[6-[3-[(1R)-1-aminoethyl]phenoxy]hexoxy]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164592631
(3R)-N-[3-[5-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 162741979
tert-butyl 5-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]pentanoate
CID 164851267

Frequently Asked Questions

What is the IUPAC name of 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine (CID 172576173) is 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine is C.C=C/C(=C/C)c1cnc2cc(N)ccn12.O=C1CCC(N2Cc3cc(N4CCN(CCOC5CCN(c6ccc(Nc7ccc(-c8cnc9cc(F)ccn89)c8c7C(=O)NC8)nc6)CC5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine?
The InChIKey is LYSPJFLQOHILAP-WTMTVGESSA-N. The full InChI is InChI=1S/C44H45FN10O5.C12H13N3.CH4/c45-28-9-14-54-37(25-47-39(54)22-28)33-4-5-35(41-34(33)24-48-43(41)58)49-38-7-2-30(23-46-38)52-12-10-31(11-13-52)60-20-19-51-15-17-53(18-16-51)29-1-3-32-27(21-29)26-55(44(32)59)36-6-8-40(56)50-42(36)57;1-3-9(4-2)11-8-14-12-7-10(13)5-6-15(11)12;/h1-5,7,9,14,21-23,25,31,36H,6,8,10-13,15-20,24,26H2,(H,46,49)(H,48,58)(H,50,56,57);3-8H,1,13H2,2H3;1H4/b;9-4-;.
What are the key properties of 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine?
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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine has a molecular weight of 1028.21 g/mol, XLogP of 7.23, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;3-[(3Z)-penta-1,3-dien-3-yl]imidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 172576173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).