6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H20N8O3 — CID 58548173

IUPAC6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NC1COC1)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H20N8O3/c30-20(27-14-9-32-10-14)17-15(2-1-5-24-17)29-21(31)18-19(26-13-6-22-11-23-7-13)25-8-16(28-18)12-3-4-12/h1-2,5-8,11-12,14H,3-4,9-10H2,(H,25,26)(H,27,30)(H,29,31)
InChIKeySTEXFZNUPDHDQI-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.66
Rot. Bonds7

About 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548173) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548173
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NC1COC1)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H20N8O3/c30-20(27-14-9-32-10-14)17-15(2-1-5-24-17)29-21(31)18-19(26-13-6-22-11-23-7-13)25-8-16(28-18)12-3-4-12/h1-2,5-8,11-12,14H,3-4,9-10H2,(H,25,26)(H,27,30)(H,29,31)
InChIKeySTEXFZNUPDHDQI-UHFFFAOYSA-N
XLogP1.66
TPSA143.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548173) is 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NC1COC1)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is STEXFZNUPDHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c30-20(27-14-9-32-10-14)17-15(2-1-5-24-17)29-21(31)18-19(26-13-6-22-11-23-7-13)25-8-16(28-18)12-3-4-12/h1-2,5-8,11-12,14H,3-4,9-10H2,(H,25,26)(H,27,30)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(oxetan-3-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).