2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

C24H20F3N5O2 — CID 130423286

IUPAC2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(-c3cnc4n[nH]c(C5CC5)c4c3)cc2)cc1C(F)(F)F
InChIInChI=1S/C24H20F3N5O2/c1-34-23-19(24(25,26)27)10-17(12-29-23)30-20(33)8-13-2-4-14(5-3-13)16-9-18-21(15-6-7-15)31-32-22(18)28-11-16/h2-5,9-12,15H,6-8H2,1H3,(H,30,33)(H,28,31,32)
InChIKeyMCNDXPOEWLFDRT-UHFFFAOYSA-N
MW467.45 g/mol
LogP5.11
Rot. Bonds6

About 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423286) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130423286
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(NC(=O)Cc2ccc(-c3cnc4n[nH]c(C5CC5)c4c3)cc2)cc1C(F)(F)F
InChIInChI=1S/C24H20F3N5O2/c1-34-23-19(24(25,26)27)10-17(12-29-23)30-20(33)8-13-2-4-14(5-3-13)16-9-18-21(15-6-7-15)31-32-22(18)28-11-16/h2-5,9-12,15H,6-8H2,1H3,(H,30,33)(H,28,31,32)
InChIKeyMCNDXPOEWLFDRT-UHFFFAOYSA-N
XLogP5.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423286) is 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1ncc(NC(=O)Cc2ccc(-c3cnc4n[nH]c(C5CC5)c4c3)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is MCNDXPOEWLFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-34-23-19(24(25,26)27)10-17(12-29-23)30-20(33)8-13-2-4-14(5-3-13)16-9-18-21(15-6-7-15)31-32-22(18)28-11-16/h2-5,9-12,15H,6-8H2,1H3,(H,30,33)(H,28,31,32).
What are the key properties of 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 467.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).