7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

C25H24N8O — CID 138712506

IUPAC7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C25H24N8O/c26-23-11-22(24-25(29-23)31-32-30-24)21-7-8-27-12-16-3-1-5-19(9-16)34-20-6-2-4-17(10-20)14-33-15-18(21)13-28-33/h1-6,9-11,13,15,21,27H,7-8,12,14H2,(H3,26,29,30,31,32)
InChIKeyDKZRCHUNHMOAJQ-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.60
Rot. Bonds1

About 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 138712506) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID138712506
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C2CCNCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1
InChIInChI=1S/C25H24N8O/c26-23-11-22(24-25(29-23)31-32-30-24)21-7-8-27-12-16-3-1-5-19(9-16)34-20-6-2-4-17(10-20)14-33-15-18(21)13-28-33/h1-6,9-11,13,15,21,27H,7-8,12,14H2,(H3,26,29,30,31,32)
InChIKeyDKZRCHUNHMOAJQ-UHFFFAOYSA-N
XLogP3.60
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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CID 24795070
Unii-XX8E5WP7FS
CID 118009787
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
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
CID 138712432
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
US10399974, Example 56
CID 118348985
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841

Frequently Asked Questions

What is the IUPAC name of 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 138712506) is 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C2CCNCc3cccc(c3)Oc3cccc(c3)Cn3cc2cn3)c2n[nH]nc2n1.
What is the InChIKey of 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DKZRCHUNHMOAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c26-23-11-22(24-25(29-23)31-32-30-24)21-7-8-27-12-16-3-1-5-19(9-16)34-20-6-2-4-17(10-20)14-33-15-18(21)13-28-33/h1-6,9-11,13,15,21,27H,7-8,12,14H2,(H3,26,29,30,31,32).
What are the key properties of 7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(17-oxa-3,4,10-triazatetracyclo[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 452.52 g/mol, XLogP of 3.60, 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[16.3.1.13,6.112,16]tetracosa-1(22),4,6(24),12(23),13,15,18,20-octaen-7-yl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 138712506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).