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

C23H23ClF2N6O — CID 19501873

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c(C)c1Cl
InChIInChI=1S/C23H23ClF2N6O/c1-13-20-17(22(25)26)11-18(16-7-5-4-6-8-16)28-23(20)32(29-13)12-19(33)27-9-10-31-15(3)21(24)14(2)30-31/h4-8,11,22H,9-10,12H2,1-3H3,(H,27,33)
InChIKeyQSFIOLMENKGSHH-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.63
Rot. Bonds7

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

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501873) has the molecular formula C23H23ClF2N6O and a molecular weight of 472.93 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19501873
Molecular FormulaC23H23ClF2N6O
Molecular Weight472.93 g/mol
Exact Mass472.16
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c(C)c1Cl
InChIInChI=1S/C23H23ClF2N6O/c1-13-20-17(22(25)26)11-18(16-7-5-4-6-8-16)28-23(20)32(29-13)12-19(33)27-9-10-31-15(3)21(24)14(2)30-31/h4-8,11,22H,9-10,12H2,1-3H3,(H,27,33)
InChIKeyQSFIOLMENKGSHH-UHFFFAOYSA-N
XLogP4.63
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501817
N-(3,4-dichlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501628
N-(3-chlorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501703
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501625
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
N-(3-chloro-4-fluorophenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501644
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-(2,4-dimethylphenyl)acetamide
CID 19501586
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 19501596
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 19501643
N-(3-chloro-4-methoxyphenyl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501615

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501873) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CCNC(=O)Cn2nc(C)c3c(C(F)F)cc(-c4ccccc4)nc32)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is QSFIOLMENKGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N6O/c1-13-20-17(22(25)26)11-18(16-7-5-4-6-8-16)28-23(20)32(29-13)12-19(33)27-9-10-31-15(3)21(24)14(2)30-31/h4-8,11,22H,9-10,12H2,1-3H3,(H,27,33).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 472.93 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).