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

C22H24F2N4O3 — CID 67209358

IUPAC2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1
InChIInChI=1S/C22H24F2N4O3/c1-12(13-6-8-15(30-3)9-7-13)25-17(29)11-31-18-10-16(21(23)24)19-20(14-4-5-14)27-28(2)22(19)26-18/h6-10,12,14,21H,4-5,11H2,1-3H3,(H,25,29)
InChIKeyHJFQNSLHQCRVOT-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.05
Rot. Bonds8

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

2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 67209358) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID67209358
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1
InChIInChI=1S/C22H24F2N4O3/c1-12(13-6-8-15(30-3)9-7-13)25-17(29)11-31-18-10-16(21(23)24)19-20(14-4-5-14)27-28(2)22(19)26-18/h6-10,12,14,21H,4-5,11H2,1-3H3,(H,25,29)
InChIKeyHJFQNSLHQCRVOT-UHFFFAOYSA-N
XLogP4.05
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-cyclopentyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(1-phenylethyl)acetamide
CID 67209272
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-(2,5-dimethylfuran-3-yl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 67209498
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-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209699
2-(3-bromo-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 67209700
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19499556
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 67209378
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622505
2-[1,4-dimethyl-3-(6-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methylphenyl)ethyl]acetamide
CID 67209639

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-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide (CID 67209358) is 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1.
What is the InChIKey of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HJFQNSLHQCRVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-12(13-6-8-15(30-3)9-7-13)25-17(29)11-31-18-10-16(21(23)24)19-20(14-4-5-14)27-28(2)22(19)26-18/h6-10,12,14,21H,4-5,11H2,1-3H3,(H,25,29).
What are the key properties of 2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide?
2-[3-cyclopropyl-4-(difluoromethyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 67209358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).