10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C22H22N6O2 — CID 19571487

IUPAC10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(C(C)C)c(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)o2)c1
InChIInChI=1S/C22H22N6O2/c1-13(2)16-7-5-14(3)9-19(16)29-11-15-6-8-18(30-15)20-25-22-17-10-24-27(4)21(17)23-12-28(22)26-20/h5-10,12-13H,11H2,1-4H3
InChIKeyYIXYWXLVESAWOC-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.28
Rot. Bonds5

About 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 19571487) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID19571487
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(C(C)C)c(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)o2)c1
InChIInChI=1S/C22H22N6O2/c1-13(2)16-7-5-14(3)9-19(16)29-11-15-6-8-18(30-15)20-25-22-17-10-24-27(4)21(17)23-12-28(22)26-20/h5-10,12-13H,11H2,1-4H3
InChIKeyYIXYWXLVESAWOC-UHFFFAOYSA-N
XLogP4.28
TPSA83.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene 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

10-methyl-4-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582522
2-[5-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 17023221
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583168
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19571696
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
CID 19619566
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19322731
4-[4-[(4-ethoxyphenoxy)methyl]phenyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777006
10-methyl-4-[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571541
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19460792
5-chloro-1,3-dimethyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrazole
CID 60796615
4-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-12-ethyl-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19583841
6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 3813163

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 19571487) is 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccc(C(C)C)c(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)o2)c1.
What is the InChIKey of 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is YIXYWXLVESAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13(2)16-7-5-14(3)9-19(16)29-11-15-6-8-18(30-15)20-25-22-17-10-24-27(4)21(17)23-12-28(22)26-20/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 402.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 19571487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).