2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C24H24FN5O2 — CID 70817062

IUPAC2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccc4F)nn(C)c3n2)cc1
InChIInChI=1S/C24H24FN5O2/c1-14-7-9-17(10-8-14)16(3)27-19(31)13-32-20-12-15(2)21-23(29-30(4)24(21)28-20)22-18(25)6-5-11-26-22/h5-12,16H,13H2,1-4H3,(H,27,31)/t16-/m0/s1
InChIKeyVHPHJZXOLJJSPJ-INIZCTEOSA-N
MW433.49 g/mol
LogP4.04
Rot. Bonds6

About 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 70817062) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID70817062
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccc4F)nn(C)c3n2)cc1
InChIInChI=1S/C24H24FN5O2/c1-14-7-9-17(10-8-14)16(3)27-19(31)13-32-20-12-15(2)21-23(29-30(4)24(21)28-20)22-18(25)6-5-11-26-22/h5-12,16H,13H2,1-4H3,(H,27,31)/t16-/m0/s1
InChIKeyVHPHJZXOLJJSPJ-INIZCTEOSA-N
XLogP4.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 70817062) is 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccc4F)nn(C)c3n2)cc1.
What is the InChIKey of 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is VHPHJZXOLJJSPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-14-7-9-17(10-8-14)16(3)27-19(31)13-32-20-12-15(2)21-23(29-30(4)24(21)28-20)22-18(25)6-5-11-26-22/h5-12,16H,13H2,1-4H3,(H,27,31)/t16-/m0/s1.
What are the key properties of 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-2-pyridinyl)-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 70817062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).