[5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C24H30N4O2 — CID 170382001

IUPAC[5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCC(C)(C)c1cnc2c(c1)c(CO)cn2CC(C)(C)c1cnc2[nH]ccc2c1CO
InChIInChI=1S/C24H30N4O2/c1-23(2,3)16-8-18-15(12-29)11-28(22(18)27-9-16)14-24(4,5)20-10-26-21-17(6-7-25-21)19(20)13-30/h6-11,29-30H,12-14H2,1-5H3,(H,25,26)
InChIKeyNHVVTKSNIVGXSX-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.17
Rot. Bonds5

About [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 170382001) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID170382001
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCC(C)(C)c1cnc2c(c1)c(CO)cn2CC(C)(C)c1cnc2[nH]ccc2c1CO
InChIInChI=1S/C24H30N4O2/c1-23(2,3)16-8-18-15(12-29)11-28(22(18)27-9-16)14-24(4,5)20-10-26-21-17(6-7-25-21)19(20)13-30/h6-11,29-30H,12-14H2,1-5H3,(H,25,26)
InChIKeyNHVVTKSNIVGXSX-UHFFFAOYSA-N
XLogP4.17
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 170382001) is [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is CC(C)(C)c1cnc2c(c1)c(CO)cn2CC(C)(C)c1cnc2[nH]ccc2c1CO.
What is the InChIKey of [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is NHVVTKSNIVGXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-23(2,3)16-8-18-15(12-29)11-28(22(18)27-9-16)14-24(4,5)20-10-26-21-17(6-7-25-21)19(20)13-30/h6-11,29-30H,12-14H2,1-5H3,(H,25,26).
What are the key properties of [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 406.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-1-[2-[4-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 170382001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).