N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

C23H24N4O2S — CID 134312553

IUPACN-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NCC(C)(C)O)nc21
InChIInChI=1S/C23H24N4O2S/c1-23(2,29)13-24-22(28)19-11-17(18-8-9-27(3)21(18)26-19)10-15-4-6-16(7-5-15)20-12-30-14-25-20/h4-9,11-12,14,29H,10,13H2,1-3H3,(H,24,28)
InChIKeyGGRCAZZCOBXTOT-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.79
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide

N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 134312553) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID134312553
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NCC(C)(C)O)nc21
InChIInChI=1S/C23H24N4O2S/c1-23(2,29)13-24-22(28)19-11-17(18-8-9-27(3)21(18)26-19)10-15-4-6-16(7-5-15)20-12-30-14-25-20/h4-9,11-12,14,29H,10,13H2,1-3H3,(H,24,28)
InChIKeyGGRCAZZCOBXTOT-UHFFFAOYSA-N
XLogP3.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide (CID 134312553) is N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is Cn1ccc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NCC(C)(C)O)nc21.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is GGRCAZZCOBXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-23(2,29)13-24-22(28)19-11-17(18-8-9-27(3)21(18)26-19)10-15-4-6-16(7-5-15)20-12-30-14-25-20/h4-9,11-12,14,29H,10,13H2,1-3H3,(H,24,28).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide?
N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-1-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 134312553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).