[4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate

C22H20N4O5 — CID 70109989

IUPAC[4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate
SMILESCOCc1c(OC(=O)OC(C)C)ncc2[nH]c3ccc4[nH]c(-c5ccco5)nc4c3c12
InChIInChI=1S/C22H20N4O5/c1-11(2)30-22(27)31-21-12(10-28-3)17-15(9-23-21)24-13-6-7-14-19(18(13)17)26-20(25-14)16-5-4-8-29-16/h4-9,11,24H,10H2,1-3H3,(H,25,26)
InChIKeyGTLQDSLNCCQNHO-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.92
Rot. Bonds5

About [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate

[4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate (PubChem CID 70109989) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate
PubChem CID70109989
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name[4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate
SMILESCOCc1c(OC(=O)OC(C)C)ncc2[nH]c3ccc4[nH]c(-c5ccco5)nc4c3c12
InChIInChI=1S/C22H20N4O5/c1-11(2)30-22(27)31-21-12(10-28-3)17-15(9-23-21)24-13-6-7-14-19(18(13)17)26-20(25-14)16-5-4-8-29-16/h4-9,11,24H,10H2,1-3H3,(H,25,26)
InChIKeyGTLQDSLNCCQNHO-UHFFFAOYSA-N
XLogP4.92
TPSA115.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate?
The IUPAC name of [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate (CID 70109989) is [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate?
The canonical SMILES for [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate is COCc1c(OC(=O)OC(C)C)ncc2[nH]c3ccc4[nH]c(-c5ccco5)nc4c3c12.
What is the InChIKey of [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate?
The InChIKey is GTLQDSLNCCQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-11(2)30-22(27)31-21-12(10-28-3)17-15(9-23-21)24-13-6-7-14-19(18(13)17)26-20(25-14)16-5-4-8-29-16/h4-9,11,24H,10H2,1-3H3,(H,25,26).
What are the key properties of [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate?
[4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate has a molecular weight of 420.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-15-(methoxymethyl)-3,5,10,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaen-14-yl] propan-2-yl carbonate is sourced from PubChem (CID 70109989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).