7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

C27H28N8O — CID 138712612

IUPAC7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C27H28N8O/c28-25-13-24(26-27(31-25)33-34-32-26)23-8-10-29-9-7-18-3-2-6-22(12-18)36-17-20-5-1-4-19(11-20)15-35-16-21(23)14-30-35/h1-6,11-14,16,23,29H,7-10,15,17H2,(H3,28,31,32,33,34)
InChIKeyYIZLIFDTJLQOKE-UHFFFAOYSA-N
MW480.58 g/mol
LogP3.43
Rot. Bonds1

About 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 138712612) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID138712612
Molecular FormulaC27H28N8O
Molecular Weight480.58 g/mol
Exact Mass480.24
IUPAC Name7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C27H28N8O/c28-25-13-24(26-27(31-25)33-34-32-26)23-8-10-29-9-7-18-3-2-6-22(12-18)36-17-20-5-1-4-19(11-20)15-35-16-21(23)14-30-35/h1-6,11-14,16,23,29H,7-10,15,17H2,(H3,28,31,32,33,34)
InChIKeyYIZLIFDTJLQOKE-UHFFFAOYSA-N
XLogP3.43
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-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-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 138712612) is 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C2CCNCCc3cccc(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1.
What is the InChIKey of 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is YIZLIFDTJLQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c28-25-13-24(26-27(31-25)33-34-32-26)23-8-10-29-9-7-18-3-2-6-22(12-18)36-17-20-5-1-4-19(11-20)15-35-16-21(23)14-30-35/h1-6,11-14,16,23,29H,7-10,15,17H2,(H3,28,31,32,33,34).
What are the key properties of 7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(18-oxa-3,4,10-triazatetracyclo[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 480.58 g/mol, XLogP of 3.43, 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[18.3.1.13,6.113,17]hexacosa-1(24),4,6(26),13(25),14,16,20,22-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 138712612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).