13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene

C23H17N3O — CID 11360115

IUPAC13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
SMILESc1coc(-c2c3c(nc4c2CCc2cccnc2-4)-c2ncccc2CC3)c1
InChIInChI=1S/C23H17N3O/c1-4-14-7-9-16-19(18-6-3-13-27-18)17-10-8-15-5-2-12-25-21(15)23(17)26-22(16)20(14)24-11-1/h1-6,11-13H,7-10H2
InChIKeyNMZOJOUDHSRJNW-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.66
Rot. Bonds1

About 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene

13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene (PubChem CID 11360115) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene.

Molecular Properties

Compound Name13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
PubChem CID11360115
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
SMILESc1coc(-c2c3c(nc4c2CCc2cccnc2-4)-c2ncccc2CC3)c1
InChIInChI=1S/C23H17N3O/c1-4-14-7-9-16-19(18-6-3-13-27-18)17-10-8-15-5-2-12-25-21(15)23(17)26-22(16)20(14)24-11-1/h1-6,11-13H,7-10H2
InChIKeyNMZOJOUDHSRJNW-UHFFFAOYSA-N
XLogP4.66
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene 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

N-[3-methyl-4-[5-[2-methyl-4-(pyridine-2-carboximidoylamino)phenyl]-2-furyl]phenyl]pyridine-2-carboxamidine
CID 487978
5-methyl-N-[3-methyl-4-[5-[2-methyl-4-[(5-methylpyridine-2-carboximidoyl)amino]phenyl]-2-furyl]phenyl]pyridine-2-carboxamidine
CID 487980
2,5-bis[4-(2-Pyridylimino)aminophenyl]furan
CID 474722
16,16-Bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 9864436
8-{4-[2-(1-Benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline
CID 11383270
16,16-Bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 15281284
16,16-Bis(furan-3-yl)-10-methoxy-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaene chloride
CID 15281288
16,16-Bis(furan-3-yl)-6-methoxy-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 15281291
16,16-Bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-1-carbonitrile chloride
CID 15281295
19,19-Bis(furan-3-yl)-11-azoniapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene chloride
CID 15281303
16,16-Bis(furan-2-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324455
1-[4-(4-Cyclohexylpiperazin-1-yl)butyl]-3-(furan-3-yl)indole
CID 56640866

Frequently Asked Questions

What is the IUPAC name of 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene?
The IUPAC name of 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene (CID 11360115) is 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene.
What is the SMILES notation for 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene?
The canonical SMILES for 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene is c1coc(-c2c3c(nc4c2CCc2cccnc2-4)-c2ncccc2CC3)c1.
What is the InChIKey of 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene?
The InChIKey is NMZOJOUDHSRJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-4-14-7-9-16-19(18-6-3-13-27-18)17-10-8-15-5-2-12-25-21(15)23(17)26-22(16)20(14)24-11-1/h1-6,11-13H,7-10H2.
What are the key properties of 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene?
13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene has a molecular weight of 351.41 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(furan-2-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene is sourced from PubChem (CID 11360115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).