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

C18H24N8O — CID 155232382

IUPAC2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C3CN(C)C3)c2)cn2nc(N)nc12
InChIInChI=1S/C18H24N8O/c1-4-11(2)21-17(27)15-5-12(7-26-16(15)22-18(19)23-26)13-6-20-25(8-13)14-9-24(3)10-14/h5-8,11,14H,4,9-10H2,1-3H3,(H2,19,23)(H,21,27)
InChIKeyVRVGSOLZDXLVCO-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.19
Rot. Bonds5

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

2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155232382) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155232382
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(C3CN(C)C3)c2)cn2nc(N)nc12
InChIInChI=1S/C18H24N8O/c1-4-11(2)21-17(27)15-5-12(7-26-16(15)22-18(19)23-26)13-6-20-25(8-13)14-9-24(3)10-14/h5-8,11,14H,4,9-10H2,1-3H3,(H2,19,23)(H,21,27)
InChIKeyVRVGSOLZDXLVCO-UHFFFAOYSA-N
XLogP1.19
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155232382) is 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CCC(C)NC(=O)c1cc(-c2cnn(C3CN(C)C3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is VRVGSOLZDXLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-4-11(2)21-17(27)15-5-12(7-26-16(15)22-18(19)23-26)13-6-20-25(8-13)14-9-24(3)10-14/h5-8,11,14H,4,9-10H2,1-3H3,(H2,19,23)(H,21,27).
What are the key properties of 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-6-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155232382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).