2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide

C24H19F3N8O — CID 67501406

IUPAC2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
SMILESCCNc1cc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O
InChIInChI=1S/C24H19F3N8O/c1-2-30-17-10-15(5-6-16(17)22(28)36)35-23-20(21(33-35)24(25,26)27)19(7-9-31-23)34-12-18(32-13-34)14-4-3-8-29-11-14/h3-13,30H,2H2,1H3,(H2,28,36)
InChIKeyDFYDIQVJCGDIFL-UHFFFAOYSA-N
MW492.47 g/mol
LogP4.22
Rot. Bonds6

About 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide

2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide (PubChem CID 67501406) has the molecular formula C24H19F3N8O and a molecular weight of 492.47 g/mol. Its IUPAC name is 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
PubChem CID67501406
Molecular FormulaC24H19F3N8O
Molecular Weight492.47 g/mol
Exact Mass492.16
IUPAC Name2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
SMILESCCNc1cc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O
InChIInChI=1S/C24H19F3N8O/c1-2-30-17-10-15(5-6-16(17)22(28)36)35-23-20(21(33-35)24(25,26)27)19(7-9-31-23)34-12-18(32-13-34)14-4-3-8-29-11-14/h3-13,30H,2H2,1H3,(H2,28,36)
InChIKeyDFYDIQVJCGDIFL-UHFFFAOYSA-N
XLogP4.22
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
The IUPAC name of 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide (CID 67501406) is 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide.
What is the SMILES notation for 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
The canonical SMILES for 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide is CCNc1cc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)ccc1C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
The InChIKey is DFYDIQVJCGDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O/c1-2-30-17-10-15(5-6-16(17)22(28)36)35-23-20(21(33-35)24(25,26)27)19(7-9-31-23)34-12-18(32-13-34)14-4-3-8-29-11-14/h3-13,30H,2H2,1H3,(H2,28,36).
What are the key properties of 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide?
2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide has a molecular weight of 492.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[4-(4-pyridin-3-ylimidazol-1-yl)-3-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 67501406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).