[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

C18H26N6O — CID 56706914

IUPAC[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCC(C)c1cc(C2CCN(C(=O)c3nnc4n3CCCC4)CC2)[nH]n1
InChIInChI=1S/C18H26N6O/c1-12(2)14-11-15(20-19-14)13-6-9-23(10-7-13)18(25)17-22-21-16-5-3-4-8-24(16)17/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyGCZWPQKEVFPIFE-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.48
Rot. Bonds3

About [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (PubChem CID 56706914) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
PubChem CID56706914
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
SMILESCC(C)c1cc(C2CCN(C(=O)c3nnc4n3CCCC4)CC2)[nH]n1
InChIInChI=1S/C18H26N6O/c1-12(2)14-11-15(20-19-14)13-6-9-23(10-7-13)18(25)17-22-21-16-5-3-4-8-24(16)17/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyGCZWPQKEVFPIFE-UHFFFAOYSA-N
XLogP2.48
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone (CID 56706914) is [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is CC(C)c1cc(C2CCN(C(=O)c3nnc4n3CCCC4)CC2)[nH]n1.
What is the InChIKey of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
The InChIKey is GCZWPQKEVFPIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(2)14-11-15(20-19-14)13-6-9-23(10-7-13)18(25)17-22-21-16-5-3-4-8-24(16)17/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone?
[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone is sourced from PubChem (CID 56706914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).