2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide

C24H16ClN9O — CID 58514800

IUPAC2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1Cl
InChIInChI=1S/C24H16ClN9O/c25-18-11-16(4-5-17(18)23(35)30-24-27-13-28-32-24)20-7-8-21-22(29-20)34(33-31-21)12-14-3-6-19-15(10-14)2-1-9-26-19/h1-11,13H,12H2,(H2,27,28,30,32,35)
InChIKeyOZECUDOLQNIRSC-UHFFFAOYSA-N
MW481.91 g/mol
LogP4.11
Rot. Bonds5

About 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide

2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 58514800) has the molecular formula C24H16ClN9O and a molecular weight of 481.91 g/mol. Its IUPAC name is 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID58514800
Molecular FormulaC24H16ClN9O
Molecular Weight481.91 g/mol
Exact Mass481.12
IUPAC Name2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1Cl
InChIInChI=1S/C24H16ClN9O/c25-18-11-16(4-5-17(18)23(35)30-24-27-13-28-32-24)20-7-8-21-22(29-20)34(33-31-21)12-14-3-6-19-15(10-14)2-1-9-26-19/h1-11,13H,12H2,(H2,27,28,30,32,35)
InChIKeyOZECUDOLQNIRSC-UHFFFAOYSA-N
XLogP4.11
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)oxy-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 71767761
1-[2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]-5-(dimethylamino)pentan-1-one
CID 58514614
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
2-[[2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl 2-methylpropanoate
CID 140667566
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
2-chloro-4-[8-(quinolin-6-ylmethyl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]benzamide
CID 123694813
2-[[2-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoyl]amino]oxyethyl 2-methylpropanoate
CID 71767484
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 58514800) is 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is OZECUDOLQNIRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN9O/c25-18-11-16(4-5-17(18)23(35)30-24-27-13-28-32-24)20-7-8-21-22(29-20)34(33-31-21)12-14-3-6-19-15(10-14)2-1-9-26-19/h1-11,13H,12H2,(H2,27,28,30,32,35).
What are the key properties of 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 481.91 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 58514800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).