7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

C26H26N8O — CID 138712405

IUPAC7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C26H26N8O/c27-24-11-23(25-26(30-24)32-33-31-25)22-7-8-28-12-17-3-2-6-21(10-17)35-16-19-5-1-4-18(9-19)14-34-15-20(22)13-29-34/h1-6,9-11,13,15,22,28H,7-8,12,14,16H2,(H3,27,30,31,32,33)
InChIKeyZRFBYKJNZSJDQG-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.38
Rot. Bonds1

About 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 138712405) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID138712405
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C26H26N8O/c27-24-11-23(25-26(30-24)32-33-31-25)22-7-8-28-12-17-3-2-6-21(10-17)35-16-19-5-1-4-18(9-19)14-34-15-20(22)13-29-34/h1-6,9-11,13,15,22,28H,7-8,12,14,16H2,(H3,27,30,31,32,33)
InChIKeyZRFBYKJNZSJDQG-UHFFFAOYSA-N
XLogP3.38
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 138712405) is 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C2CCNCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1.
What is the InChIKey of 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZRFBYKJNZSJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c27-24-11-23(25-26(30-24)32-33-31-25)22-7-8-28-12-17-3-2-6-21(10-17)35-16-19-5-1-4-18(9-19)14-34-15-20(22)13-29-34/h1-6,9-11,13,15,22,28H,7-8,12,14,16H2,(H3,27,30,31,32,33).
What are the key properties of 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 466.55 g/mol, XLogP of 3.38, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(17-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12(24),13,15,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 138712405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).