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

C25H20Cl2F2N6O2 — CID 19501543

IUPACN-[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
SMILESCc1nn(CC(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C25H20Cl2F2N6O2/c1-13-8-21(33-34(13)11-15-5-6-17(26)18(27)9-15)31-22(36)12-35-25-23(14(2)32-35)16(24(28)29)10-19(30-25)20-4-3-7-37-20/h3-10,24H,11-12H2,1-2H3,(H,31,33,36)
InChIKeyADHIKRBPLMCBPK-UHFFFAOYSA-N
MW545.38 g/mol
LogP6.44
Rot. Bonds7

About 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

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 (PubChem CID 19501543) has the molecular formula C25H20Cl2F2N6O2 and a molecular weight of 545.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID19501543
Molecular FormulaC25H20Cl2F2N6O2
Molecular Weight545.38 g/mol
Exact Mass544.10
IUPAC NameN-[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
SMILESCc1nn(CC(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c2nc(-c3ccco3)cc(C(F)F)c12
InChIInChI=1S/C25H20Cl2F2N6O2/c1-13-8-21(33-34(13)11-15-5-6-17(26)18(27)9-15)31-22(36)12-35-25-23(14(2)32-35)16(24(28)29)10-19(30-25)20-4-3-7-37-20/h3-10,24H,11-12H2,1-2H3,(H,31,33,36)
InChIKeyADHIKRBPLMCBPK-UHFFFAOYSA-N
XLogP6.44
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.38
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dichlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499756
N-(3-chloro-2-methylphenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499717
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
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501428
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-pyridin-4-ylacetamide
CID 19499759
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499402
2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501372
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
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503515
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
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19501488

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(CC(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c2nc(-c3ccco3)cc(C(F)F)c12.
What is the InChIKey of 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?
The InChIKey is ADHIKRBPLMCBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N6O2/c1-13-8-21(33-34(13)11-15-5-6-17(26)18(27)9-15)31-22(36)12-35-25-23(14(2)32-35)16(24(28)29)10-19(30-25)20-4-3-7-37-20/h3-10,24H,11-12H2,1-2H3,(H,31,33,36).
What are the key properties of 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?
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 has a molecular weight of 545.38 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19501543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).