1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one

C25H26N6O3 — CID 69163998

IUPAC1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one
SMILESCC(C)N1CCC(CN2C(=O)C3(Cc4nnnn4-c4cc5c(cc43)OCO5)c3ccccc32)C1
InChIInChI=1S/C25H26N6O3/c1-15(2)29-8-7-16(12-29)13-30-19-6-4-3-5-17(19)25(24(30)32)11-23-26-27-28-31(23)20-10-22-21(9-18(20)25)33-14-34-22/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3
InChIKeyYIUTVMHKUAMICA-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.31
Rot. Bonds3

About 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one

1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one (PubChem CID 69163998) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one
PubChem CID69163998
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one
SMILESCC(C)N1CCC(CN2C(=O)C3(Cc4nnnn4-c4cc5c(cc43)OCO5)c3ccccc32)C1
InChIInChI=1S/C25H26N6O3/c1-15(2)29-8-7-16(12-29)13-30-19-6-4-3-5-17(19)25(24(30)32)11-23-26-27-28-31(23)20-10-22-21(9-18(20)25)33-14-34-22/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3
InChIKeyYIUTVMHKUAMICA-UHFFFAOYSA-N
XLogP2.31
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-[(1-propan-2-ylpiperidin-4-yl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one;hydrochloride
CID 67357685
1'-[(1-cyclopentylpiperidin-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642390
1'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642174
1'-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263383
1'-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642387
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
3-[2-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59352646
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 68600551
5-amino-1'-benzyl-6-iminospiro[7H-[1,3]dioxolo[4,5-g]quinoline-8,3'-indole]-2'-one
CID 89277850
tert-butyl 4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]piperidine-1-carboxylate
CID 59352597
1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one (CID 69163998) is 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one is CC(C)N1CCC(CN2C(=O)C3(Cc4nnnn4-c4cc5c(cc43)OCO5)c3ccccc32)C1.
What is the InChIKey of 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one?
The InChIKey is YIUTVMHKUAMICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-15(2)29-8-7-16(12-29)13-30-19-6-4-3-5-17(19)25(24(30)32)11-23-26-27-28-31(23)20-10-22-21(9-18(20)25)33-14-34-22/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3.
What are the key properties of 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one?
1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one has a molecular weight of 458.52 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[12,14-dioxa-2,3,4,5-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-8,3'-indole]-2'-one is sourced from PubChem (CID 69163998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).