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

C20H19F4N7OS — CID 19499395

IUPAC2-[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
SMILESCCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(C(F)F)cc(C(F)F)nc43)n2)c(C)n1
InChIInChI=1S/C20H19F4N7OS/c1-4-30-6-12(9(2)28-30)14-8-33-20(26-14)27-15(32)7-31-19-16(10(3)29-31)11(17(21)22)5-13(25-19)18(23)24/h5-6,8,17-18H,4,7H2,1-3H3,(H,26,27,32)
InChIKeyXSHCQYVQAMSGLE-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.90
Rot. Bonds7

About 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

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 (PubChem CID 19499395) has the molecular formula C20H19F4N7OS and a molecular weight of 481.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID19499395
Molecular FormulaC20H19F4N7OS
Molecular Weight481.48 g/mol
Exact Mass481.13
IUPAC Name2-[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
SMILESCCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(C(F)F)cc(C(F)F)nc43)n2)c(C)n1
InChIInChI=1S/C20H19F4N7OS/c1-4-30-6-12(9(2)28-30)14-8-33-20(26-14)27-15(32)7-31-19-16(10(3)29-31)11(17(21)22)5-13(25-19)18(23)24/h5-6,8,17-18H,4,7H2,1-3H3,(H,26,27,32)
InChIKeyXSHCQYVQAMSGLE-UHFFFAOYSA-N
XLogP4.90
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethyl-5-methylpyrazol-3-yl)acetamide
CID 19499435
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-2-[3-methyl-4-(3-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19481923
N-(4-acetylphenyl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19497627
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-ethylpyrazol-4-yl)acetamide
CID 19501855
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499402
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 19499300
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534
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-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19499396
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19497589

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cc(-c2csc(NC(=O)Cn3nc(C)c4c(C(F)F)cc(C(F)F)nc43)n2)c(C)n1.
What is the InChIKey of 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?
The InChIKey is XSHCQYVQAMSGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7OS/c1-4-30-6-12(9(2)28-30)14-8-33-20(26-14)27-15(32)7-31-19-16(10(3)29-31)11(17(21)22)5-13(25-19)18(23)24/h5-6,8,17-18H,4,7H2,1-3H3,(H,26,27,32).
What are the key properties of 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?
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 has a molecular weight of 481.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19499395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).