2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide

C22H21F2N9OS — CID 19503672

IUPAC2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(C(F)F)cc(-c5cnn(C)c5)nc43)n2)cn1
InChIInChI=1S/C22H21F2N9OS/c1-4-32-9-14(7-26-32)17-11-35-22(28-17)29-18(34)10-33-21-19(12(2)30-33)15(20(23)24)5-16(27-21)13-6-25-31(3)8-13/h5-9,11,20H,4,10H2,1-3H3,(H,28,29,34)
InChIKeyQQMFTNIDBNYVBY-UHFFFAOYSA-N
MW497.54 g/mol
LogP4.06
Rot. Bonds7

About 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide

2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19503672) has the molecular formula C22H21F2N9OS and a molecular weight of 497.54 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID19503672
Molecular FormulaC22H21F2N9OS
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC Name2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(C(F)F)cc(-c5cnn(C)c5)nc43)n2)cn1
InChIInChI=1S/C22H21F2N9OS/c1-4-32-9-14(7-26-32)17-11-35-22(28-17)29-18(34)10-33-21-19(12(2)30-33)15(20(23)24)5-16(27-21)13-6-25-31(3)8-13/h5-9,11,20H,4,10H2,1-3H3,(H,28,29,34)
InChIKeyQQMFTNIDBNYVBY-UHFFFAOYSA-N
XLogP4.06
TPSA108.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide
CID 19499395
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
CID 19501855
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19503553
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503595
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-pyrrolidin-1-ylethanone
CID 19503507
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
N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19469876
N-[1-[(2-chloro-4-fluorophenyl)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 19503635
N,N-dicyclohexyl-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501895
ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29090076
4-[4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29096183
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide (CID 19503672) is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide is CCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(C(F)F)cc(-c5cnn(C)c5)nc43)n2)cn1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QQMFTNIDBNYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N9OS/c1-4-32-9-14(7-26-32)17-11-35-22(28-17)29-18(34)10-33-21-19(12(2)30-33)15(20(23)24)5-16(27-21)13-6-25-31(3)8-13/h5-9,11,20H,4,10H2,1-3H3,(H,28,29,34).
What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide?
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 497.54 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19503672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).