5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C21H23N5O2 — CID 123882172

IUPAC5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCOCn1c(-c2cn(C)c3c2C=C(OC)CC3)cc2c1ncc1cnc(C)n12
InChIInChI=1S/C21H23N5O2/c1-13-22-9-14-10-23-21-20(26(13)14)8-19(25(21)12-27-3)17-11-24(2)18-6-5-15(28-4)7-16(17)18/h7-11H,5-6,12H2,1-4H3
InChIKeyWZONXVWURQTLKU-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.54
Rot. Bonds4

About 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 123882172) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID123882172
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCOCn1c(-c2cn(C)c3c2C=C(OC)CC3)cc2c1ncc1cnc(C)n12
InChIInChI=1S/C21H23N5O2/c1-13-22-9-14-10-23-21-20(26(13)14)8-19(25(21)12-27-3)17-11-24(2)18-6-5-15(28-4)7-16(17)18/h7-11H,5-6,12H2,1-4H3
InChIKeyWZONXVWURQTLKU-UHFFFAOYSA-N
XLogP3.54
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 123882172) is 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is COCn1c(-c2cn(C)c3c2C=C(OC)CC3)cc2c1ncc1cnc(C)n12.
What is the InChIKey of 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is WZONXVWURQTLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-22-9-14-10-23-21-20(26(13)14)8-19(25(21)12-27-3)17-11-24(2)18-6-5-15(28-4)7-16(17)18/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 377.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4-(5-methoxy-1-methyl-6,7-dihydroindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 123882172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).