11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C26H24N6 — CID 42639038

IUPAC11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESCc1cc(C)n(-c2nnc(-n3nc(C)cc3C)c3c2-c2c(C)ccc4ccc(C)c-3c24)n1
InChIInChI=1S/C26H24N6/c1-13-7-9-19-10-8-14(2)21-22(19)20(13)23-24(21)26(32-18(6)12-16(4)30-32)28-27-25(23)31-17(5)11-15(3)29-31/h7-12H,1-6H3
InChIKeyMMFLLZWCPGHGED-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.50
Rot. Bonds2

About 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 42639038) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

Compound Name11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
PubChem CID42639038
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESCc1cc(C)n(-c2nnc(-n3nc(C)cc3C)c3c2-c2c(C)ccc4ccc(C)c-3c24)n1
InChIInChI=1S/C26H24N6/c1-13-7-9-19-10-8-14(2)21-22(19)20(13)23-24(21)26(32-18(6)12-16(4)30-32)28-27-25(23)31-17(5)11-15(3)29-31/h7-12H,1-6H3
InChIKeyMMFLLZWCPGHGED-UHFFFAOYSA-N
XLogP5.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The IUPAC name of 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 42639038) is 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.
What is the SMILES notation for 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The canonical SMILES for 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is Cc1cc(C)n(-c2nnc(-n3nc(C)cc3C)c3c2-c2c(C)ccc4ccc(C)c-3c24)n1.
What is the InChIKey of 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The InChIKey is MMFLLZWCPGHGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-13-7-9-19-10-8-14(2)21-22(19)20(13)23-24(21)26(32-18(6)12-16(4)30-32)28-27-25(23)31-17(5)11-15(3)29-31/h7-12H,1-6H3.
What are the key properties of 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene has a molecular weight of 420.52 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,14-bis(3,5-dimethylpyrazol-1-yl)-2,8-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 42639038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).