N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C22H16ClF3N4O — CID 19501644

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c2nc(-c3ccccc3)cc(C(F)F)c12
InChIInChI=1S/C22H16ClF3N4O/c1-12-20-15(21(25)26)10-18(13-5-3-2-4-6-13)28-22(20)30(29-12)11-19(31)27-14-7-8-17(24)16(23)9-14/h2-10,21H,11H2,1H3,(H,27,31)
InChIKeyYPMKUJIYOMUVMJ-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.78
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501644) has the molecular formula C22H16ClF3N4O and a molecular weight of 444.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19501644
Molecular FormulaC22H16ClF3N4O
Molecular Weight444.84 g/mol
Exact Mass444.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c2nc(-c3ccccc3)cc(C(F)F)c12
InChIInChI=1S/C22H16ClF3N4O/c1-12-20-15(21(25)26)10-18(13-5-3-2-4-6-13)28-22(20)30(29-12)11-19(31)27-14-7-8-17(24)16(23)9-14/h2-10,21H,11H2,1H3,(H,27,31)
InChIKeyYPMKUJIYOMUVMJ-UHFFFAOYSA-N
XLogP5.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
N-(3-chloro-4-methoxyphenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501615
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19501638
N-(1-benzylpyrazol-4-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501680
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
CID 19501855
N-(2-chloro-4-nitrophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501661
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 19501596

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501644) is N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(F)c(Cl)c2)c2nc(-c3ccccc3)cc(C(F)F)c12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is YPMKUJIYOMUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O/c1-12-20-15(21(25)26)10-18(13-5-3-2-4-6-13)28-22(20)30(29-12)11-19(31)27-14-7-8-17(24)16(23)9-14/h2-10,21H,11H2,1H3,(H,27,31).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 444.84 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).