2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C24H22F3N7O2 — CID 135349926

IUPAC2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2ccc3c(N4CCN(c5cnc(C(F)(F)F)cn5)CC4)ccnc32)cc1O
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)20-12-31-21(13-30-20)33-9-7-32(8-10-33)18-3-5-29-23-16(18)4-6-34(23)14-15-1-2-17(22(28)36)19(35)11-15/h1-6,11-13,35H,7-10,14H2,(H2,28,36)
InChIKeyFHGVKQJANNJZBK-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.02
Rot. Bonds5

About 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 135349926) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
PubChem CID135349926
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(Cn2ccc3c(N4CCN(c5cnc(C(F)(F)F)cn5)CC4)ccnc32)cc1O
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)20-12-31-21(13-30-20)33-9-7-32(8-10-33)18-3-5-29-23-16(18)4-6-34(23)14-15-1-2-17(22(28)36)19(35)11-15/h1-6,11-13,35H,7-10,14H2,(H2,28,36)
InChIKeyFHGVKQJANNJZBK-UHFFFAOYSA-N
XLogP3.02
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 135349926) is 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is NC(=O)c1ccc(Cn2ccc3c(N4CCN(c5cnc(C(F)(F)F)cn5)CC4)ccnc32)cc1O.
What is the InChIKey of 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is FHGVKQJANNJZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c25-24(26,27)20-12-31-21(13-30-20)33-9-7-32(8-10-33)18-3-5-29-23-16(18)4-6-34(23)14-15-1-2-17(22(28)36)19(35)11-15/h1-6,11-13,35H,7-10,14H2,(H2,28,36).
What are the key properties of 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 497.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[4-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 135349926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).