N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C20H19BrF2N6O2 — CID 19501524

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCCn1ncc(Br)c1CNC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccco3)nc21
InChIInChI=1S/C20H19BrF2N6O2/c1-3-28-15(13(21)8-25-28)9-24-17(30)10-29-20-18(11(2)27-29)12(19(22)23)7-14(26-20)16-5-4-6-31-16/h4-8,19H,3,9-10H2,1-2H3,(H,24,30)
InChIKeyAIMDJSMGDRIWQC-UHFFFAOYSA-N
MW493.31 g/mol
LogP4.23
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501524) has the molecular formula C20H19BrF2N6O2 and a molecular weight of 493.31 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19501524
Molecular FormulaC20H19BrF2N6O2
Molecular Weight493.31 g/mol
Exact Mass492.07
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCCn1ncc(Br)c1CNC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccco3)nc21
InChIInChI=1S/C20H19BrF2N6O2/c1-3-28-15(13(21)8-25-28)9-24-17(30)10-29-20-18(11(2)27-29)12(19(22)23)7-14(26-20)16-5-4-6-31-16/h4-8,19H,3,9-10H2,1-2H3,(H,24,30)
InChIKeyAIMDJSMGDRIWQC-UHFFFAOYSA-N
XLogP4.23
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-pyridin-4-ylacetamide
CID 19499759
N-(2,6-dichlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499756
N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501552
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19501538
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19501453
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501372
N-(3-chloro-2-methylphenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499717
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501428
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
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501408
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501508
1-(4-benzylpiperidin-1-yl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499718

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501524) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is CCn1ncc(Br)c1CNC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccco3)nc21.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is AIMDJSMGDRIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N6O2/c1-3-28-15(13(21)8-25-28)9-24-17(30)10-29-20-18(11(2)27-29)12(19(22)23)7-14(26-20)16-5-4-6-31-16/h4-8,19H,3,9-10H2,1-2H3,(H,24,30).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 493.31 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).