N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C22H20F4N6O — CID 19499402

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2cc(C)n(Cc3ccccc3)n2)c2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C22H20F4N6O/c1-12-8-17(30-31(12)10-14-6-4-3-5-7-14)28-18(33)11-32-22-19(13(2)29-32)15(20(23)24)9-16(27-22)21(25)26/h3-9,20-21H,10-11H2,1-2H3,(H,28,30,33)
InChIKeySNGICIWJCAKWHQ-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.81
Rot. Bonds7

About N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19499402) has the molecular formula C22H20F4N6O and a molecular weight of 460.44 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19499402
Molecular FormulaC22H20F4N6O
Molecular Weight460.44 g/mol
Exact Mass460.16
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2cc(C)n(Cc3ccccc3)n2)c2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C22H20F4N6O/c1-12-8-17(30-31(12)10-14-6-4-3-5-7-14)28-18(33)11-32-22-19(13(2)29-32)15(20(23)24)9-16(27-22)21(25)26/h3-9,20-21H,10-11H2,1-2H3,(H,28,30,33)
InChIKeySNGICIWJCAKWHQ-UHFFFAOYSA-N
XLogP4.81
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethyl-5-methylpyrazol-3-yl)acetamide
CID 19499435
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19499378
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19497489
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501543
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 19499300
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19499243
N-(4-acetylphenyl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19497627
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19497589
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-propylbenzimidazol-2-yl)acetamide
CID 19499311

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19499402) is N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2cc(C)n(Cc3ccccc3)n2)c2nc(C(F)F)cc(C(F)F)c12.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is SNGICIWJCAKWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O/c1-12-8-17(30-31(12)10-14-6-4-3-5-7-14)28-18(33)11-32-22-19(13(2)29-32)15(20(23)24)9-16(27-22)21(25)26/h3-9,20-21H,10-11H2,1-2H3,(H,28,30,33).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 460.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19499402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).