2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

C21H26F2N6O2 — CID 67209228

IUPAC2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30)
InChIKeyHMRNTTNSOLTLME-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.39
Rot. Bonds7

About 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 67209228) has the molecular formula C21H26F2N6O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID67209228
Molecular FormulaC21H26F2N6O2
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC Name2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30)
InChIKeyHMRNTTNSOLTLME-UHFFFAOYSA-N
XLogP3.39
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209358
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetamide
CID 67209430
2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 67209227
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide
CID 67209535
2-[3-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
CID 67209272
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 67209378
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 67209555
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 67209700
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209699
1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one
CID 157427721
2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 166224937
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 53242213

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 67209228) is 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1C(C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1.
What is the InChIKey of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is HMRNTTNSOLTLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O2/c1-10(17-11(2)26-28(4)12(17)3)24-15(30)9-31-16-8-14(20(22)23)18-19(13-6-7-13)27-29(5)21(18)25-16/h8,10,13,20H,6-7,9H2,1-5H3,(H,24,30).
What are the key properties of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 67209228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).