N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide

C27H24N6O2 — CID 135353695

IUPACN-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1
InChIInChI=1S/C27H24N6O2/c34-27(29-22-12-15-35-16-13-22)20-8-6-18(7-9-20)23-10-11-24-26(30-23)33(32-31-24)17-21-4-1-3-19-5-2-14-28-25(19)21/h1-11,14,22H,12-13,15-17H2,(H,29,34)
InChIKeyGMRKENBRHAOOII-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.00
Rot. Bonds5

About N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide

N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide (PubChem CID 135353695) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
PubChem CID135353695
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC NameN-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1
InChIInChI=1S/C27H24N6O2/c34-27(29-22-12-15-35-16-13-22)20-8-6-18(7-9-20)23-10-11-24-26(30-23)33(32-31-24)17-21-4-1-3-19-5-2-14-28-25(19)21/h1-11,14,22H,12-13,15-17H2,(H,29,34)
InChIKeyGMRKENBRHAOOII-UHFFFAOYSA-N
XLogP4.00
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353659
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353697
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)oxy-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 155352045
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide
CID 139324782
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone
CID 66995253
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 51300002
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514805

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The IUPAC name of N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide (CID 135353695) is N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide is O=C(NC1CCOCC1)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1.
What is the InChIKey of N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The InChIKey is GMRKENBRHAOOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c34-27(29-22-12-15-35-16-13-22)20-8-6-18(7-9-20)23-10-11-24-26(30-23)33(32-31-24)17-21-4-1-3-19-5-2-14-28-25(19)21/h1-11,14,22H,12-13,15-17H2,(H,29,34).
What are the key properties of N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide has a molecular weight of 464.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 135353695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).