N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C23H24N8O2 — CID 91950637

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3ccc(-c4cnc[nH]4)cc3)CC2)n1
InChIInChI=1S/C23H24N8O2/c1-14-25-11-19(23-28-15(2)30-33-23)21(27-14)31-9-7-17(8-10-31)22(32)29-18-5-3-16(4-6-18)20-12-24-13-26-20/h3-6,11-13,17H,7-10H2,1-2H3,(H,24,26)(H,29,32)
InChIKeyMFXQMYKECAPLMV-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide

N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91950637) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91950637
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3ccc(-c4cnc[nH]4)cc3)CC2)n1
InChIInChI=1S/C23H24N8O2/c1-14-25-11-19(23-28-15(2)30-33-23)21(27-14)31-9-7-17(8-10-31)22(32)29-18-5-3-16(4-6-18)20-12-24-13-26-20/h3-6,11-13,17H,7-10H2,1-2H3,(H,24,26)(H,29,32)
InChIKeyMFXQMYKECAPLMV-UHFFFAOYSA-N
XLogP3.39
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91950637) is N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1noc(-c2cnc(C)nc2N2CCC(C(=O)Nc3ccc(-c4cnc[nH]4)cc3)CC2)n1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is MFXQMYKECAPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-14-25-11-19(23-28-15(2)30-33-23)21(27-14)31-9-7-17(8-10-31)22(32)29-18-5-3-16(4-6-18)20-12-24-13-26-20/h3-6,11-13,17H,7-10H2,1-2H3,(H,24,26)(H,29,32).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91950637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).