2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide

C23H16ClF2N7O2 — CID 155517164

IUPAC2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NC(=O)Cc5cccc(Cl)c5)c4F)nn3)cc12
InChIInChI=1S/C23H16ClF2N7O2/c1-35-23-15-9-13(10-27-22(15)30-31-23)18-11-33(32-29-18)21-16(25)5-6-17(20(21)26)28-19(34)8-12-3-2-4-14(24)7-12/h2-7,9-11H,8H2,1H3,(H,28,34)(H,27,30,31)
InChIKeyXTUAHPVXWFQDFX-UHFFFAOYSA-N
MW495.88 g/mol
LogP4.33
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide

2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide (PubChem CID 155517164) has the molecular formula C23H16ClF2N7O2 and a molecular weight of 495.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide
PubChem CID155517164
Molecular FormulaC23H16ClF2N7O2
Molecular Weight495.88 g/mol
Exact Mass495.10
IUPAC Name2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide
SMILESCOc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NC(=O)Cc5cccc(Cl)c5)c4F)nn3)cc12
InChIInChI=1S/C23H16ClF2N7O2/c1-35-23-15-9-13(10-27-22(15)30-31-23)18-11-33(32-29-18)21-16(25)5-6-17(20(21)26)28-19(34)8-12-3-2-4-14(24)7-12/h2-7,9-11H,8H2,1H3,(H,28,34)(H,27,30,31)
InChIKeyXTUAHPVXWFQDFX-UHFFFAOYSA-N
XLogP4.33
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.88
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522410
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
N-(3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66850618
2-amino-N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118533896
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 130344686
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142427481
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142427563
N-[5-(5-chloro-4-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162655845
N-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162657041
N-[5-[5-chloro-2-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162672080
N-[5-(3-chloro-2-fluoro-6-methoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162674092
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyrrolidin-1-ylsulfonylamino)benzamide
CID 53484099

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide (CID 155517164) is 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide is COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NC(=O)Cc5cccc(Cl)c5)c4F)nn3)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide?
The InChIKey is XTUAHPVXWFQDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N7O2/c1-35-23-15-9-13(10-27-22(15)30-31-23)18-11-33(32-29-18)21-16(25)5-6-17(20(21)26)28-19(34)8-12-3-2-4-14(24)7-12/h2-7,9-11H,8H2,1H3,(H,28,34)(H,27,30,31).
What are the key properties of 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide?
2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide has a molecular weight of 495.88 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 155517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).