N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide

C23H28N4O2 — CID 42634297

IUPACN-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-21(2,3)24-19(28)15-8-10-16(11-9-15)23(12-13-23)20-26-25-18-17(22(4,5)29)7-6-14-27(18)20/h6-11,14,29H,12-13H2,1-5H3,(H,24,28)
InChIKeyFDUDXQPVIGHXIY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.56
Rot. Bonds4

About N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide

N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide (PubChem CID 42634297) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide
PubChem CID42634297
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-21(2,3)24-19(28)15-8-10-16(11-9-15)23(12-13-23)20-26-25-18-17(22(4,5)29)7-6-14-27(18)20/h6-11,14,29H,12-13H2,1-5H3,(H,24,28)
InChIKeyFDUDXQPVIGHXIY-UHFFFAOYSA-N
XLogP3.56
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide?
The IUPAC name of N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide (CID 42634297) is N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide is CC(C)(C)NC(=O)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.
What is the InChIKey of N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide?
The InChIKey is FDUDXQPVIGHXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-21(2,3)24-19(28)15-8-10-16(11-9-15)23(12-13-23)20-26-25-18-17(22(4,5)29)7-6-14-27(18)20/h6-11,14,29H,12-13H2,1-5H3,(H,24,28).
What are the key properties of N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide?
N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzamide is sourced from PubChem (CID 42634297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).