N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide

C22H28N6O2 — CID 110085681

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2nc(C(=O)N3CCCC(C)(C(=O)NCc4c(C)n[nH]c4C)C3)cn2c1
InChIInChI=1S/C22H28N6O2/c1-14-6-7-19-24-18(12-28(19)11-14)20(29)27-9-5-8-22(4,13-27)21(30)23-10-17-15(2)25-26-16(17)3/h6-7,11-12H,5,8-10,13H2,1-4H3,(H,23,30)(H,25,26)
InChIKeyKLKZPSWDPMRZBO-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.54
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 110085681) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
PubChem CID110085681
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc2nc(C(=O)N3CCCC(C)(C(=O)NCc4c(C)n[nH]c4C)C3)cn2c1
InChIInChI=1S/C22H28N6O2/c1-14-6-7-19-24-18(12-28(19)11-14)20(29)27-9-5-8-22(4,13-27)21(30)23-10-17-15(2)25-26-16(17)3/h6-7,11-12H,5,8-10,13H2,1-4H3,(H,23,30)(H,25,26)
InChIKeyKLKZPSWDPMRZBO-UHFFFAOYSA-N
XLogP2.54
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide (CID 110085681) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide is Cc1ccc2nc(C(=O)N3CCCC(C)(C(=O)NCc4c(C)n[nH]c4C)C3)cn2c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KLKZPSWDPMRZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14-6-7-19-24-18(12-28(19)11-14)20(29)27-9-5-8-22(4,13-27)21(30)23-10-17-15(2)25-26-16(17)3/h6-7,11-12H,5,8-10,13H2,1-4H3,(H,23,30)(H,25,26).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110085681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).