5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

C72H72N18O10 — CID 163413225

IUPAC5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
SMILESNc1ccc2[nH]nc(-c3ccnc(N4CC5(CN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C4)c3)c2c1.O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CC6(C5)CN(c5cc(-c7n[nH]c8ccc([N+](=O)[O-])cc78)ccn5)C6)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C36H35N9O6.C36H37N9O4/c46-31-6-5-29(33(47)38-31)44-34(48)25-3-1-23(14-26(25)35(44)49)42-11-8-21(9-12-42)16-41-17-36(18-41)19-43(20-36)30-13-22(7-10-37-30)32-27-15-24(45(50)51)2-4-28(27)39-40-32;37-23-1-4-28-27(14-23)32(41-40-28)22-7-10-38-30(13-22)44-19-36(20-44)17-42(18-36)16-21-8-11-43(12-9-21)24-2-3-25-26(15-24)35(49)45(34(25)48)29-5-6-31(46)39-33(29)47/h1-4,7,10,13-15,21,29H,5-6,8-9,11-12,16-20H2,(H,39,40)(H,38,46,47);1-4,7,10,13-15,21,29H,5-6,8-9,11-12,16-20,37H2,(H,40,41)(H,39,46,47)
InChIKeyACFKHEOAKAJDAI-UHFFFAOYSA-N
MW1349.48 g/mol
LogP5.62
Rot. Bonds13

About 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 163413225) has the molecular formula C72H72N18O10 and a molecular weight of 1349.48 g/mol. Its IUPAC name is 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
PubChem CID163413225
Molecular FormulaC72H72N18O10
Molecular Weight1349.48 g/mol
Exact Mass1348.57
IUPAC Name5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
SMILESNc1ccc2[nH]nc(-c3ccnc(N4CC5(CN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C4)c3)c2c1.O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CC6(C5)CN(c5cc(-c7n[nH]c8ccc([N+](=O)[O-])cc78)ccn5)C6)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C36H35N9O6.C36H37N9O4/c46-31-6-5-29(33(47)38-31)44-34(48)25-3-1-23(14-26(25)35(44)49)42-11-8-21(9-12-42)16-41-17-36(18-41)19-43(20-36)30-13-22(7-10-37-30)32-27-15-24(45(50)51)2-4-28(27)39-40-32;37-23-1-4-28-27(14-23)32(41-40-28)22-7-10-38-30(13-22)44-19-36(20-44)17-42(18-36)16-21-8-11-43(12-9-21)24-2-3-25-26(15-24)35(49)45(34(25)48)29-5-6-31(46)39-33(29)47/h1-4,7,10,13-15,21,29H,5-6,8-9,11-12,16-20H2,(H,39,40)(H,38,46,47);1-4,7,10,13-15,21,29H,5-6,8-9,11-12,16-20,37H2,(H,40,41)(H,39,46,47)
InChIKeyACFKHEOAKAJDAI-UHFFFAOYSA-N
XLogP5.62
TPSA338.84 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.48
LogP ≤ 55.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[[4-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 156866855
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[1-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]azetidin-3-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 165137172
5-[4-[[1-[2-[4-[4-(6-amino-3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163652717
tert-butyl 2-[3-[2-[(3S,5R)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]acetate
CID 163574862
(7R)-4,5,7-trimethyl-N-[3-[2-[6-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-4-pyridinyl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 170452159
5-[4-[[4-[[4-[4-(6-amino-3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-5-[4-[[4-[[4-[4-(6-nitro-3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 163566978
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[[1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 165137028
(7S)-N-[3-[2-[4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 163803649
N-[3-[2-[4-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 164700675
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 156867090
3-[7-[4-[[1-[2-[4-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]-5-methylidene-4-oxo-1,3-oxazepan-3-yl]piperidine-2,6-dione
CID 166768357
(7S)-N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 164700662

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
The IUPAC name of 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (CID 163413225) is 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is Nc1ccc2[nH]nc(-c3ccnc(N4CC5(CN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)C4)c3)c2c1.O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CC6(C5)CN(c5cc(-c7n[nH]c8ccc([N+](=O)[O-])cc78)ccn5)C6)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
The InChIKey is ACFKHEOAKAJDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N9O6.C36H37N9O4/c46-31-6-5-29(33(47)38-31)44-34(48)25-3-1-23(14-26(25)35(44)49)42-11-8-21(9-12-42)16-41-17-36(18-41)19-43(20-36)30-13-22(7-10-37-30)32-27-15-24(45(50)51)2-4-28(27)39-40-32;37-23-1-4-28-27(14-23)32(41-40-28)22-7-10-38-30(13-22)44-19-36(20-44)17-42(18-36)16-21-8-11-43(12-9-21)24-2-3-25-26(15-24)35(49)45(34(25)48)29-5-6-31(46)39-33(29)47/h1-4,7,10,13-15,21,29H,5-6,8-9,11-12,16-20H2,(H,39,40)(H,38,46,47);1-4,7,10,13-15,21,29H,5-6,8-9,11-12,16-20,37H2,(H,40,41)(H,39,46,47).
What are the key properties of 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 1349.48 g/mol, XLogP of 5.62, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-[4-(5-amino-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[2-[4-(5-nitro-1H-indazol-3-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 163413225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).