5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine

C23H15ClN6O2 — CID 146366749

IUPAC5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine
SMILESCOCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(Cl)cc1-2
InChIInChI=1S/C23H15ClN6O2/c1-31-12-21-27-28-22-17-9-16(24)3-5-19(17)30-13-26-18(20(30)11-29(21)22)4-2-14-8-15-6-7-32-23(15)25-10-14/h3,5-10,13H,11-12H2,1H3
InChIKeyHZTNFCILGXXHNZ-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.83
Rot. Bonds2

About 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine

5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine (PubChem CID 146366749) has the molecular formula C23H15ClN6O2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine
PubChem CID146366749
Molecular FormulaC23H15ClN6O2
Molecular Weight442.87 g/mol
Exact Mass442.09
IUPAC Name5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine
SMILESCOCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(Cl)cc1-2
InChIInChI=1S/C23H15ClN6O2/c1-31-12-21-27-28-22-17-9-16(24)3-5-19(17)30-13-26-18(20(30)11-29(21)22)4-2-14-8-15-6-7-32-23(15)25-10-14/h3,5-10,13H,11-12H2,1H3
InChIKeyHZTNFCILGXXHNZ-UHFFFAOYSA-N
XLogP3.83
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine?
The IUPAC name of 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine (CID 146366749) is 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine.
What is the SMILES notation for 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine?
The canonical SMILES for 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine is COCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(Cl)cc1-2.
What is the InChIKey of 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine?
The InChIKey is HZTNFCILGXXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN6O2/c1-31-12-21-27-28-22-17-9-16(24)3-5-19(17)30-13-26-18(20(30)11-29(21)22)4-2-14-8-15-6-7-32-23(15)25-10-14/h3,5-10,13H,11-12H2,1H3.
What are the key properties of 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine?
5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine has a molecular weight of 442.87 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[15-chloro-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine is sourced from PubChem (CID 146366749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).