7-(15-fluoro-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

C26H25FN8O — CID 138712511

IUPAC7-(15-fluoro-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(C2CCNCc3ccc(F)c(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C26H25FN8O/c27-22-5-4-16-9-23(22)36-15-18-3-1-2-17(8-18)13-35-14-19(12-30-35)20(6-7-29-11-16)21-10-24(28)31-26-25(21)32-34-33-26/h1-5,8-10,12,14,20,29H,6-7,11,13,15H2,(H3,28,31,32,33,34)
InChIKeyDVFGWXJRDVHDAG-UHFFFAOYSA-N
MW484.54 g/mol
LogP3.52
Rot. Bonds1

About 7-(15-fluoro-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-(15-fluoro-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 138712511) has the molecular formula C26H25FN8O and a molecular weight of 484.54 g/mol. Its IUPAC name is 7-(15-fluoro-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-(15-fluoro-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 CID138712511
Molecular FormulaC26H25FN8O
Molecular Weight484.54 g/mol
Exact Mass484.21
IUPAC Name7-(15-fluoro-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(C2CCNCc3ccc(F)c(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C26H25FN8O/c27-22-5-4-16-9-23(22)36-15-18-3-1-2-17(8-18)13-35-14-19(12-30-35)20(6-7-29-11-16)21-10-24(28)31-26-25(21)32-34-33-26/h1-5,8-10,12,14,20,29H,6-7,11,13,15H2,(H3,28,31,32,33,34)
InChIKeyDVFGWXJRDVHDAG-UHFFFAOYSA-N
XLogP3.52
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(15-fluoro-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-(15-fluoro-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-(15-fluoro-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 138712511) is 7-(15-fluoro-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-(15-fluoro-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-(15-fluoro-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(C2CCNCc3ccc(F)c(c3)OCc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1.
What is the InChIKey of 7-(15-fluoro-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 DVFGWXJRDVHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O/c27-22-5-4-16-9-23(22)36-15-18-3-1-2-17(8-18)13-35-14-19(12-30-35)20(6-7-29-11-16)21-10-24(28)31-26-25(21)32-34-33-26/h1-5,8-10,12,14,20,29H,6-7,11,13,15H2,(H3,28,31,32,33,34).
What are the key properties of 7-(15-fluoro-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-(15-fluoro-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 484.54 g/mol, XLogP of 3.52, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(15-fluoro-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 138712511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).