1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one

C24H20N6O4 — CID 25224973

IUPAC1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one
SMILESCOc1ccc(CN2C(=O)C3(CN4NNN=C4c4cc5c(cc43)OCO5)c3ccccc32)cn1
InChIInChI=1S/C24H20N6O4/c1-32-21-7-6-14(10-25-21)11-29-18-5-3-2-4-16(18)24(23(29)31)12-30-22(26-27-28-30)15-8-19-20(9-17(15)24)34-13-33-19/h2-10,27-28H,11-13H2,1H3
InChIKeyZKNHDNHOXKSXFK-UHFFFAOYSA-N
MW456.46 g/mol
LogP1.65
Rot. Bonds3

About 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one

1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one (PubChem CID 25224973) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one
PubChem CID25224973
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC Name1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one
SMILESCOc1ccc(CN2C(=O)C3(CN4NNN=C4c4cc5c(cc43)OCO5)c3ccccc32)cn1
InChIInChI=1S/C24H20N6O4/c1-32-21-7-6-14(10-25-21)11-29-18-5-3-2-4-16(18)24(23(29)31)12-30-22(26-27-28-30)15-8-19-20(9-17(15)24)34-13-33-19/h2-10,27-28H,11-13H2,1H3
InChIKeyZKNHDNHOXKSXFK-UHFFFAOYSA-N
XLogP1.65
TPSA100.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263375
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 59352709
1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 71036161
1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263445
(5Z)-5-(aminomethylidene)-1'-[(5-methylfuran-2-yl)methyl]spiro[6,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,3'-indole]-2'-one
CID 143657303
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263392
tert-butyl-[5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]-2-pyridinyl]carbamic acid
CID 67358217
5-amino-1'-benzyl-6-iminospiro[7H-[1,3]dioxolo[4,5-g]quinoline-8,3'-indole]-2'-one
CID 89277850

Frequently Asked Questions

What is the IUPAC name of 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one (CID 25224973) is 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one is COc1ccc(CN2C(=O)C3(CN4NNN=C4c4cc5c(cc43)OCO5)c3ccccc32)cn1.
What is the InChIKey of 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one?
The InChIKey is ZKNHDNHOXKSXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4/c1-32-21-7-6-14(10-25-21)11-29-18-5-3-2-4-16(18)24(23(29)31)12-30-22(26-27-28-30)15-8-19-20(9-17(15)24)34-13-33-19/h2-10,27-28H,11-13H2,1H3.
What are the key properties of 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one?
1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one has a molecular weight of 456.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(6-methoxy-3-pyridinyl)methyl]spiro[12,14-dioxa-3,4,5,6-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-8,3'-indole]-2'-one is sourced from PubChem (CID 25224973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).