2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C24H30N4O3 — CID 135349918

IUPAC2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(O)CN1CCC(c2ccc3ccn(Cc4ccc(C(N)=O)c(O)c4)c3n2)CC1
InChIInChI=1S/C24H30N4O3/c1-24(2,31)15-27-10-7-17(8-11-27)20-6-4-18-9-12-28(23(18)26-20)14-16-3-5-19(22(25)30)21(29)13-16/h3-6,9,12-13,17,29,31H,7-8,10-11,14-15H2,1-2H3,(H2,25,30)
InChIKeyYKFGYSWVHIZGDG-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.84
Rot. Bonds6

About 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 135349918) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
PubChem CID135349918
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESCC(C)(O)CN1CCC(c2ccc3ccn(Cc4ccc(C(N)=O)c(O)c4)c3n2)CC1
InChIInChI=1S/C24H30N4O3/c1-24(2,31)15-27-10-7-17(8-11-27)20-6-4-18-9-12-28(23(18)26-20)14-16-3-5-19(22(25)30)21(29)13-16/h3-6,9,12-13,17,29,31H,7-8,10-11,14-15H2,1-2H3,(H2,25,30)
InChIKeyYKFGYSWVHIZGDG-UHFFFAOYSA-N
XLogP2.84
TPSA104.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 135349918) is 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is CC(C)(O)CN1CCC(c2ccc3ccn(Cc4ccc(C(N)=O)c(O)c4)c3n2)CC1.
What is the InChIKey of 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is YKFGYSWVHIZGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-24(2,31)15-27-10-7-17(8-11-27)20-6-4-18-9-12-28(23(18)26-20)14-16-3-5-19(22(25)30)21(29)13-16/h3-6,9,12-13,17,29,31H,7-8,10-11,14-15H2,1-2H3,(H2,25,30).
What are the key properties of 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 135349918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).