1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C19H26N8O — CID 72873959

IUPAC1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCCC(c3nnc(Cn4ccnc4)n3C)C2)c1
InChIInChI=1S/C19H26N8O/c1-15-10-21-27(11-15)8-5-18(28)26-7-3-4-16(12-26)19-23-22-17(24(19)2)13-25-9-6-20-14-25/h6,9-11,14,16H,3-5,7-8,12-13H2,1-2H3
InChIKeyDJEQBCAPHYZOBQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.36
Rot. Bonds6

About 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 72873959) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID72873959
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCCC(c3nnc(Cn4ccnc4)n3C)C2)c1
InChIInChI=1S/C19H26N8O/c1-15-10-21-27(11-15)8-5-18(28)26-7-3-4-16(12-26)19-23-22-17(24(19)2)13-25-9-6-20-14-25/h6,9-11,14,16H,3-5,7-8,12-13H2,1-2H3
InChIKeyDJEQBCAPHYZOBQ-UHFFFAOYSA-N
XLogP1.36
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one 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 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 72873959) is 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(CCC(=O)N2CCCC(c3nnc(Cn4ccnc4)n3C)C2)c1.
What is the InChIKey of 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is DJEQBCAPHYZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-15-10-21-27(11-15)8-5-18(28)26-7-3-4-16(12-26)19-23-22-17(24(19)2)13-25-9-6-20-14-25/h6,9-11,14,16H,3-5,7-8,12-13H2,1-2H3.
What are the key properties of 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 382.47 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 72873959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).