4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene

C22H26N6O2 — CID 146233856

IUPAC4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene
SMILESCC1(C)OCCN2c3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3CC21
InChIInChI=1S/C22H26N6O2/c1-22(2)18-12-15-20(27-6-9-29-10-7-27)24-19(25-21(15)28(18)8-11-30-22)14-4-3-5-17-16(14)13-23-26-17/h3-5,13,18H,6-12H2,1-2H3,(H,23,26)
InChIKeyUYFSVTLNBOPSLL-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.40
Rot. Bonds2

About 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene

4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene (PubChem CID 146233856) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene
PubChem CID146233856
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene
SMILESCC1(C)OCCN2c3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3CC21
InChIInChI=1S/C22H26N6O2/c1-22(2)18-12-15-20(27-6-9-29-10-7-27)24-19(25-21(15)28(18)8-11-30-22)14-4-3-5-17-16(14)13-23-26-17/h3-5,13,18H,6-12H2,1-2H3,(H,23,26)
InChIKeyUYFSVTLNBOPSLL-UHFFFAOYSA-N
XLogP2.40
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene?
The IUPAC name of 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene (CID 146233856) is 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene.
What is the SMILES notation for 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene?
The canonical SMILES for 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene is CC1(C)OCCN2c3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3CC21.
What is the InChIKey of 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene?
The InChIKey is UYFSVTLNBOPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-22(2)18-12-15-20(27-6-9-29-10-7-27)24-19(25-21(15)28(18)8-11-30-22)14-4-3-5-17-16(14)13-23-26-17/h3-5,13,18H,6-12H2,1-2H3,(H,23,26).
What are the key properties of 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene?
4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene has a molecular weight of 406.49 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-4-yl)-10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 146233856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).