6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H22N8O2 — CID 165414911

IUPAC6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H22N8O2/c32-22(26-10-4-7-19-30-23(33-31-19)16-5-2-1-3-6-16)20-21(28-17-11-24-14-25-12-17)27-13-18(29-20)15-8-9-15/h1-3,5-6,11-15H,4,7-10H2,(H,26,32)(H,27,28)
InChIKeyPUABEWVZPJCUIZ-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.30
Rot. Bonds9

About 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165414911) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165414911
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H22N8O2/c32-22(26-10-4-7-19-30-23(33-31-19)16-5-2-1-3-6-16)20-21(28-17-11-24-14-25-12-17)27-13-18(29-20)15-8-9-15/h1-3,5-6,11-15H,4,7-10H2,(H,26,32)(H,27,28)
InChIKeyPUABEWVZPJCUIZ-UHFFFAOYSA-N
XLogP3.30
TPSA131.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415201
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(quinoxalin-6-ylmethyl)pyrazine-2-carboxamide
CID 165415174
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548326
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415438
6-cyclopropyl-N-[4-[2-hydroxyethyl(methyl)carbamoyl]pyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 123768844
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(2-oxopropyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548341
[5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-2-methylpyrimidin-4-yl] N-methylcarbamate
CID 130443017
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(pyrrolidine-1-carbonyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 58548310
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86284965
N-[4-(azetidine-1-carbonyl)pyrimidin-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548362
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165414911) is 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is PUABEWVZPJCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c32-22(26-10-4-7-19-30-23(33-31-19)16-5-2-1-3-6-16)20-21(28-17-11-24-14-25-12-17)27-13-18(29-20)15-8-9-15/h1-3,5-6,11-15H,4,7-10H2,(H,26,32)(H,27,28).
What are the key properties of 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165414911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).