(2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone

C17H25N7O — CID 31134760

IUPAC(2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC(n3cc(CN4CCCC4)nn3)CC2)[nH]1
InChIInChI=1S/C17H25N7O/c1-13-18-10-16(19-13)17(25)23-8-4-15(5-9-23)24-12-14(20-21-24)11-22-6-2-3-7-22/h10,12,15H,2-9,11H2,1H3,(H,18,19)
InChIKeyUUUHHOLPGMSZDW-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.38
Rot. Bonds4

About (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone

(2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone (PubChem CID 31134760) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone
PubChem CID31134760
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name(2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC(n3cc(CN4CCCC4)nn3)CC2)[nH]1
InChIInChI=1S/C17H25N7O/c1-13-18-10-16(19-13)17(25)23-8-4-15(5-9-23)24-12-14(20-21-24)11-22-6-2-3-7-22/h10,12,15H,2-9,11H2,1H3,(H,18,19)
InChIKeyUUUHHOLPGMSZDW-UHFFFAOYSA-N
XLogP1.38
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-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 (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone (CID 31134760) is (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC(n3cc(CN4CCCC4)nn3)CC2)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is UUUHHOLPGMSZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13-18-10-16(19-13)17(25)23-8-4-15(5-9-23)24-12-14(20-21-24)11-22-6-2-3-7-22/h10,12,15H,2-9,11H2,1H3,(H,18,19).
What are the key properties of (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone?
(2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 343.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 31134760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).