6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

C48H46N10O9 — CID 158164462

IUPAC6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32OCCO2)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3=O)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H25N5O5.C23H21N5O4/c1-13(15-9-21(31)26-11-15)35-23-22-20(27-12-30(22)16-3-4-16)10-18(28-23)14-2-5-17-19(8-14)29-24(32)25(17)33-6-7-34-25;1-11(13-7-19(29)24-9-13)32-23-20-18(25-10-28(20)14-3-4-14)8-16(27-23)12-2-5-15-17(6-12)26-22(31)21(15)30/h2,5,8,10,12-13,15-16H,3-4,6-7,9,11H2,1H3,(H,26,31)(H,29,32);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,24,29)(H,26,30,31)/t13-,15-;11-,13-/m11/s1
InChIKeyFWRDJDLIKGXZFH-UVKLKTDMSA-N
MW906.96 g/mol
LogP4.96
Rot. Bonds10

About 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one

6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (PubChem CID 158164462) has the molecular formula C48H46N10O9 and a molecular weight of 906.96 g/mol. Its IUPAC name is 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
PubChem CID158164462
Molecular FormulaC48H46N10O9
Molecular Weight906.96 g/mol
Exact Mass906.34
IUPAC Name6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32OCCO2)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3=O)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H25N5O5.C23H21N5O4/c1-13(15-9-21(31)26-11-15)35-23-22-20(27-12-30(22)16-3-4-16)10-18(28-23)14-2-5-17-19(8-14)29-24(32)25(17)33-6-7-34-25;1-11(13-7-19(29)24-9-13)32-23-20-18(25-10-28(20)14-3-4-14)8-16(27-23)12-2-5-15-17(6-12)26-22(31)21(15)30/h2,5,8,10,12-13,15-16H,3-4,6-7,9,11H2,1H3,(H,26,31)(H,29,32);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,24,29)(H,26,30,31)/t13-,15-;11-,13-/m11/s1
InChIKeyFWRDJDLIKGXZFH-UVKLKTDMSA-N
XLogP4.96
TPSA231.81 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.96
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one with MolForge

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Related Compounds

4-[1-[6-(1,3-benzothiazol-6-yl)-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123702258
4-[1-[6-[4-(4-acetylpiperazin-1-yl)-3-methoxyphenyl]-3-cyclopropylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123899629
4-[1-[3-cyclopropyl-6-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123475365
4-[1-[3-cyclopropyl-6-[3-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123826159
4-[1-[3-cyclopropyl-6-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123712243
(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 162323720
tert-butyl 6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-methyl-2'-oxospiro[azetidine-3,3'-indole]-1-carboxylate;tert-butyl 1'-methyl-2'-oxo-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[azetidine-3,3'-indole]-1-carboxylate
CID 160617813
6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 144786754
[(E)-2-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-iminoprop-1-enyl]-(oxetan-3-yl)azanium
CID 144786629
3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine
CID 135157738
4-[1-[3-cyclopropyl-6-[6-[4-(oxetan-3-yl)piperazin-1-yl]pyridazin-3-yl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
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4-[1-[3-methyl-6-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123432561

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The IUPAC name of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one (CID 158164462) is 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32OCCO2)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1.C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C3=O)cc2ncn(C3CC3)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
The InChIKey is FWRDJDLIKGXZFH-UVKLKTDMSA-N. The full InChI is InChI=1S/C25H25N5O5.C23H21N5O4/c1-13(15-9-21(31)26-11-15)35-23-22-20(27-12-30(22)16-3-4-16)10-18(28-23)14-2-5-17-19(8-14)29-24(32)25(17)33-6-7-34-25;1-11(13-7-19(29)24-9-13)32-23-20-18(25-10-28(20)14-3-4-14)8-16(27-23)12-2-5-15-17(6-12)26-22(31)21(15)30/h2,5,8,10,12-13,15-16H,3-4,6-7,9,11H2,1H3,(H,26,31)(H,29,32);2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,24,29)(H,26,30,31)/t13-,15-;11-,13-/m11/s1.
What are the key properties of 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one?
6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one has a molecular weight of 906.96 g/mol, XLogP of 4.96, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-1H-indole-2,3-dione;6'-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 158164462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).