3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide

C21H20F4N8O2 — CID 118873314

IUPAC3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)C(F)C1
InChIInChI=1S/C21H20F4N8O2/c22-11-10-33(8-5-12(11)26)14-3-1-7-29-19(14)32-20(34)17-18(27)30-9-13(31-17)16-15(4-2-6-28-16)35-21(23,24)25/h1-4,6-7,9,11-12H,5,8,10,26H2,(H2,27,30)(H,29,32,34)
InChIKeySUKUYCBPKLCSMU-UHFFFAOYSA-N
MW492.44 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873314) has the molecular formula C21H20F4N8O2 and a molecular weight of 492.44 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873314
Molecular FormulaC21H20F4N8O2
Molecular Weight492.44 g/mol
Exact Mass492.16
IUPAC Name3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)C(F)C1
InChIInChI=1S/C21H20F4N8O2/c22-11-10-33(8-5-12(11)26)14-3-1-7-29-19(14)32-20(34)17-18(27)30-9-13(31-17)16-15(4-2-6-28-16)35-21(23,24)25/h1-4,6-7,9,11-12H,5,8,10,26H2,(H2,27,30)(H,29,32,34)
InChIKeySUKUYCBPKLCSMU-UHFFFAOYSA-N
XLogP2.54
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873314) is 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is Nc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)C(F)C1.
What is the InChIKey of 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is SUKUYCBPKLCSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N8O2/c22-11-10-33(8-5-12(11)26)14-3-1-7-29-19(14)32-20(34)17-18(27)30-9-13(31-17)16-15(4-2-6-28-16)35-21(23,24)25/h1-4,6-7,9,11-12H,5,8,10,26H2,(H2,27,30)(H,29,32,34).
What are the key properties of 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 492.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).