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

C24H26F2N6O2 — CID 67209817

IUPAC2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[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(-c3ccccc3)nn(C)c2n1
InChIInChI=1S/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33)
InChIKeyCESWXAPSIOXDGJ-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.18
Rot. Bonds7

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

2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 67209817) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID67209817
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[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(-c3ccccc3)nn(C)c2n1
InChIInChI=1S/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33)
InChIKeyCESWXAPSIOXDGJ-UHFFFAOYSA-N
XLogP4.18
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 67209817) is 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[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(-c3ccccc3)nn(C)c2n1.
What is the InChIKey of 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is CESWXAPSIOXDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-13(20-14(2)29-31(4)15(20)3)27-18(33)12-34-19-11-17(23(25)26)21-22(16-9-7-6-8-10-16)30-32(5)24(21)28-19/h6-11,13,23H,12H2,1-5H3,(H,27,33).
What are the key properties of 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 468.51 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1-methyl-3-phenylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 67209817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).