N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide

C22H28N8O2 — CID 71112158

IUPACN-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1nccn1-c1cnc(C(=O)N(C2CC2)C2CCN(c3nc(C(C)C)no3)CC2)cn1
InChIInChI=1S/C22H28N8O2/c1-14(2)20-26-22(32-27-20)28-9-6-17(7-10-28)30(16-4-5-16)21(31)18-12-25-19(13-24-18)29-11-8-23-15(29)3/h8,11-14,16-17H,4-7,9-10H2,1-3H3
InChIKeyTYNSKWPRQRETJT-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.75
Rot. Bonds6

About N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide

N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 71112158) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID71112158
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC NameN-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1nccn1-c1cnc(C(=O)N(C2CC2)C2CCN(c3nc(C(C)C)no3)CC2)cn1
InChIInChI=1S/C22H28N8O2/c1-14(2)20-26-22(32-27-20)28-9-6-17(7-10-28)30(16-4-5-16)21(31)18-12-25-19(13-24-18)29-11-8-23-15(29)3/h8,11-14,16-17H,4-7,9-10H2,1-3H3
InChIKeyTYNSKWPRQRETJT-UHFFFAOYSA-N
XLogP2.75
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide (CID 71112158) is N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide is Cc1nccn1-c1cnc(C(=O)N(C2CC2)C2CCN(c3nc(C(C)C)no3)CC2)cn1.
What is the InChIKey of N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is TYNSKWPRQRETJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-14(2)20-26-22(32-27-20)28-9-6-17(7-10-28)30(16-4-5-16)21(31)18-12-25-19(13-24-18)29-11-8-23-15(29)3/h8,11-14,16-17H,4-7,9-10H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide?
N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2-methylimidazol-1-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71112158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).