2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide

C22H23FN6O — CID 19485231

IUPAC2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide
SMILESCc1ccn(CC(C)NC(=O)Cn2nc(C)c3c(-c4ccc(F)cc4)ccnc32)n1
InChIInChI=1S/C22H23FN6O/c1-14-9-11-28(26-14)12-15(2)25-20(30)13-29-22-21(16(3)27-29)19(8-10-24-22)17-4-6-18(23)7-5-17/h4-11,15H,12-13H2,1-3H3,(H,25,30)
InChIKeyLIJCJRXCDWTROI-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.26
Rot. Bonds6

About 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide

2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide (PubChem CID 19485231) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide
PubChem CID19485231
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide
SMILESCc1ccn(CC(C)NC(=O)Cn2nc(C)c3c(-c4ccc(F)cc4)ccnc32)n1
InChIInChI=1S/C22H23FN6O/c1-14-9-11-28(26-14)12-15(2)25-20(30)13-29-22-21(16(3)27-29)19(8-10-24-22)17-4-6-18(23)7-5-17/h4-11,15H,12-13H2,1-3H3,(H,25,30)
InChIKeyLIJCJRXCDWTROI-UHFFFAOYSA-N
XLogP3.26
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19484935
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 19485119
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-methoxypropyl)acetamide
CID 19485148
N-(1-ethylpyrazol-4-yl)-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485199
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19484881
N-[1-(4-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19506042
N-(2,6-dimethylphenyl)-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485302
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19484919
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19484948
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485219
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485071
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19505956

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide (CID 19485231) is 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide is Cc1ccn(CC(C)NC(=O)Cn2nc(C)c3c(-c4ccc(F)cc4)ccnc32)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide?
The InChIKey is LIJCJRXCDWTROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-14-9-11-28(26-14)12-15(2)25-20(30)13-29-22-21(16(3)27-29)19(8-10-24-22)17-4-6-18(23)7-5-17/h4-11,15H,12-13H2,1-3H3,(H,25,30).
What are the key properties of 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide?
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 19485231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).