2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C24H28N8O — CID 155232015

IUPAC2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C3CN(Cc4ccccc4)C3)c2)cn2nc(N)nc12
InChIInChI=1S/C24H28N8O/c1-3-16(2)27-23(33)21-9-18(12-32-22(21)28-24(25)29-32)19-10-26-31(13-19)20-14-30(15-20)11-17-7-5-4-6-8-17/h4-10,12-13,16,20H,3,11,14-15H2,1-2H3,(H2,25,29)(H,27,33)
InChIKeyVOOPHGMZBCJSGI-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.76
Rot. Bonds7

About 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155232015) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155232015
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C3CN(Cc4ccccc4)C3)c2)cn2nc(N)nc12
InChIInChI=1S/C24H28N8O/c1-3-16(2)27-23(33)21-9-18(12-32-22(21)28-24(25)29-32)19-10-26-31(13-19)20-14-30(15-20)11-17-7-5-4-6-8-17/h4-10,12-13,16,20H,3,11,14-15H2,1-2H3,(H2,25,29)(H,27,33)
InChIKeyVOOPHGMZBCJSGI-UHFFFAOYSA-N
XLogP2.76
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155232015) is 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CCC(C)NC(=O)c1cc(-c2cnn(C3CN(Cc4ccccc4)C3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is VOOPHGMZBCJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-3-16(2)27-23(33)21-9-18(12-32-22(21)28-24(25)29-32)19-10-26-31(13-19)20-14-30(15-20)11-17-7-5-4-6-8-17/h4-10,12-13,16,20H,3,11,14-15H2,1-2H3,(H2,25,29)(H,27,33).
What are the key properties of 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155232015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).