7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine

C25H30N8O — CID 138712402

IUPAC7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNC3CCC(CC3)COc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C25H30N8O/c26-23-11-22(24-25(29-23)31-32-30-24)21-8-9-27-19-6-4-16(5-7-19)15-34-20-3-1-2-17(10-20)13-33-14-18(21)12-28-33/h1-3,10-12,14,16,19,21,27H,4-9,13,15H2,(H3,26,29,30,31,32)
InChIKeyCPXJLLGWDVECQS-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.24
Rot. Bonds1

About 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 138712402) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID138712402
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNC3CCC(CC3)COc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C25H30N8O/c26-23-11-22(24-25(29-23)31-32-30-24)21-8-9-27-19-6-4-16(5-7-19)15-34-20-3-1-2-17(10-20)13-33-14-18(21)12-28-33/h1-3,10-12,14,16,19,21,27H,4-9,13,15H2,(H3,26,29,30,31,32)
InChIKeyCPXJLLGWDVECQS-UHFFFAOYSA-N
XLogP3.24
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-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-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 138712402) is 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C2CCNC3CCC(CC3)COc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1.
What is the InChIKey of 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is CPXJLLGWDVECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c26-23-11-22(24-25(29-23)31-32-30-24)21-8-9-27-19-6-4-16(5-7-19)15-34-20-3-1-2-17(10-20)13-33-14-18(21)12-28-33/h1-3,10-12,14,16,19,21,27H,4-9,13,15H2,(H3,26,29,30,31,32).
What are the key properties of 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 458.57 g/mol, XLogP of 3.24, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-oxa-10,11,17-triazatetracyclo[16.2.2.14,8.110,13]tetracosa-4,6,8(24),11,13(23)-pentaen-14-yl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 138712402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).