17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

C24H17N5O2 — CID 660904

IUPAC17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILESCc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)c1
InChIInChI=1S/C24H17N5O2/c1-15-6-4-7-16(12-15)29-14-25-22-20(24(29)30)21-23(28(22)13-17-8-5-11-31-17)27-19-10-3-2-9-18(19)26-21/h2-12,14H,13H2,1H3
InChIKeyDUTNQEVLPMRTHE-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.23
Rot. Bonds3

About 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one (PubChem CID 660904) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.

Molecular Properties

Compound Name17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
PubChem CID660904
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILESCc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)c1
InChIInChI=1S/C24H17N5O2/c1-15-6-4-7-16(12-15)29-14-25-22-20(24(29)30)21-23(28(22)13-17-8-5-11-31-17)27-19-10-3-2-9-18(19)26-21/h2-12,14H,13H2,1H3
InChIKeyDUTNQEVLPMRTHE-UHFFFAOYSA-N
XLogP4.23
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The IUPAC name of 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one (CID 660904) is 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
What is the SMILES notation for 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The canonical SMILES for 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)c1.
What is the InChIKey of 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The InChIKey is DUTNQEVLPMRTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c1-15-6-4-7-16(12-15)29-14-25-22-20(24(29)30)21-23(28(22)13-17-8-5-11-31-17)27-19-10-3-2-9-18(19)26-21/h2-12,14H,13H2,1H3.
What are the key properties of 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one has a molecular weight of 407.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(furan-2-ylmethyl)-13-(3-methylphenyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is sourced from PubChem (CID 660904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).