N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide

C23H24N8O2 — CID 176939179

IUPACN-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide
SMILESCC(=O)N1CC(C)(C)c2ccc(NC(=O)Cn3cc(-c4ccn5nc(N)nc5c4)cn3)cc21
InChIInChI=1S/C23H24N8O2/c1-14(32)30-13-23(2,3)18-5-4-17(9-19(18)30)26-21(33)12-29-11-16(10-25-29)15-6-7-31-20(8-15)27-22(24)28-31/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,33)
InChIKeyZDDXHHMELCNEEX-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.46
Rot. Bonds4

About N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide

N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide (PubChem CID 176939179) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide
PubChem CID176939179
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide
SMILESCC(=O)N1CC(C)(C)c2ccc(NC(=O)Cn3cc(-c4ccn5nc(N)nc5c4)cn3)cc21
InChIInChI=1S/C23H24N8O2/c1-14(32)30-13-23(2,3)18-5-4-17(9-19(18)30)26-21(33)12-29-11-16(10-25-29)15-6-7-31-20(8-15)27-22(24)28-31/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,33)
InChIKeyZDDXHHMELCNEEX-UHFFFAOYSA-N
XLogP2.46
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide (CID 176939179) is N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide is CC(=O)N1CC(C)(C)c2ccc(NC(=O)Cn3cc(-c4ccn5nc(N)nc5c4)cn3)cc21.
What is the InChIKey of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide?
The InChIKey is ZDDXHHMELCNEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-14(32)30-13-23(2,3)18-5-4-17(9-19(18)30)26-21(33)12-29-11-16(10-25-29)15-6-7-31-20(8-15)27-22(24)28-31/h4-11H,12-13H2,1-3H3,(H2,24,28)(H,26,33).
What are the key properties of N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide?
N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)-2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 176939179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).