8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene

C24H22N6 — CID 58568576

IUPAC8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene
SMILESCN1Cc2cncc(c2)-c2cnccc2N(C)Cc2cncc(c2)-c2cnccc21
InChIInChI=1S/C24H22N6/c1-29-15-17-7-20(12-27-9-17)22-14-26-6-4-24(22)30(2)16-18-8-19(11-28-10-18)21-13-25-5-3-23(21)29/h3-14H,15-16H2,1-2H3
InChIKeyUKZXLSDUKLQYTK-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.19
Rot. Bonds

About 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene

8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene (PubChem CID 58568576) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene.

Molecular Properties

Compound Name8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene
PubChem CID58568576
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene
SMILESCN1Cc2cncc(c2)-c2cnccc2N(C)Cc2cncc(c2)-c2cnccc21
InChIInChI=1S/C24H22N6/c1-29-15-17-7-20(12-27-9-17)22-14-26-6-4-24(22)30(2)16-18-8-19(11-28-10-18)21-13-25-5-3-23(21)29/h3-14H,15-16H2,1-2H3
InChIKeyUKZXLSDUKLQYTK-UHFFFAOYSA-N
XLogP4.19
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene 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

ethane;1-methyl-2,3-dihydroimidazo[4,5-c]pyridine
CID 143245746
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
CID 122433704
5-(3-methoxy-4-pyridinyl)pyridin-3-ol
CID 163312957
4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one
CID 66793837
8,21-dimethyl-4,17-dinaphthalen-1-yl-8,21-diazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene
CID 58568594
8-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-3-carboxylic acid
CID 96600018
4-methyl-5-pyridin-3-ylpyridin-3-ol
CID 175581528
4-methyl-2,3-dihydropyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
CID 10845683
4-propan-2-yl-3-pyridin-4-ylpyridine
CID 138726377
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764
2-methyl-4-(4-methyl-3-pyridinyl)phenol
CID 83130962

Frequently Asked Questions

What is the IUPAC name of 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene?
The IUPAC name of 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene (CID 58568576) is 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene.
What is the SMILES notation for 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene?
The canonical SMILES for 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene is CN1Cc2cncc(c2)-c2cnccc2N(C)Cc2cncc(c2)-c2cnccc21.
What is the InChIKey of 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene?
The InChIKey is UKZXLSDUKLQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-29-15-17-7-20(12-27-9-17)22-14-26-6-4-24(22)30(2)16-18-8-19(11-28-10-18)21-13-25-5-3-23(21)29/h3-14H,15-16H2,1-2H3.
What are the key properties of 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene?
8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene has a molecular weight of 394.48 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,21-dimethyl-4,8,12,17,21,25-hexazapentacyclo[21.3.1.110,14.02,7.015,20]octacosa-1(26),2(7),3,5,10(28),11,13,15(20),16,18,23(27),24-dodecaene is sourced from PubChem (CID 58568576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).