7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

C26H26N8O — CID 138712502

IUPAC7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C26H26N8O/c27-24-13-23(25-26(30-24)32-33-31-25)22-8-10-28-9-7-17-3-1-5-20(11-17)35-21-6-2-4-18(12-21)15-34-16-19(22)14-29-34/h1-6,11-14,16,22,28H,7-10,15H2,(H3,27,30,31,32,33)
InChIKeyODKDWSQDDZTGDO-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.64
Rot. Bonds1

About 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 138712502) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID138712502
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C26H26N8O/c27-24-13-23(25-26(30-24)32-33-31-25)22-8-10-28-9-7-17-3-1-5-20(11-17)35-21-6-2-4-18(12-21)15-34-16-19(22)14-29-34/h1-6,11-14,16,22,28H,7-10,15H2,(H3,27,30,31,32,33)
InChIKeyODKDWSQDDZTGDO-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
US10125144, Example 18
CID 118010994
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
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3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
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7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 138712502) is 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C2CCNCCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1.
What is the InChIKey of 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ODKDWSQDDZTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c27-24-13-23(25-26(30-24)32-33-31-25)22-8-10-28-9-7-17-3-1-5-20(11-17)35-21-6-2-4-18(12-21)15-34-16-19(22)14-29-34/h1-6,11-14,16,22,28H,7-10,15H2,(H3,27,30,31,32,33).
What are the key properties of 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 466.55 g/mol, XLogP of 3.64, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13(24),14,16,19,21-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 138712502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).