N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C19H21N5O3S — CID 71818454

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C19H21N5O3S/c25-18(16-13-22-19-20-8-11-23(19)14-16)21-12-15-4-6-17(7-5-15)28(26,27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,25)
InChIKeyIHMQDBRNUXKITP-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.83
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 71818454) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID71818454
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C19H21N5O3S/c25-18(16-13-22-19-20-8-11-23(19)14-16)21-12-15-4-6-17(7-5-15)28(26,27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,25)
InChIKeyIHMQDBRNUXKITP-UHFFFAOYSA-N
XLogP1.83
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide 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 N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 71818454) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is IHMQDBRNUXKITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c25-18(16-13-22-19-20-8-11-23(19)14-16)21-12-15-4-6-17(7-5-15)28(26,27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,25).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71818454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).