3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C23H23F5N8O2 — CID 118873296

IUPAC3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1
InChIInChI=1S/C23H23F5N8O2/c24-21(25)38-12-22(30)5-9-36(10-6-22)15-4-2-8-32-19(15)35-20(37)17-18(29)33-11-14(34-17)16-13(23(26,27)28)3-1-7-31-16/h1-4,7-8,11,21H,5-6,9-10,12,30H2,(H2,29,33)(H,32,35,37)
InChIKeyOAKTUZHANZGXOY-UHFFFAOYSA-N
MW538.48 g/mol
LogP3.32
Rot. Bonds7

About 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873296) has the molecular formula C23H23F5N8O2 and a molecular weight of 538.48 g/mol. Its IUPAC name is 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873296
Molecular FormulaC23H23F5N8O2
Molecular Weight538.48 g/mol
Exact Mass538.19
IUPAC Name3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1
InChIInChI=1S/C23H23F5N8O2/c24-21(25)38-12-22(30)5-9-36(10-6-22)15-4-2-8-32-19(15)35-20(37)17-18(29)33-11-14(34-17)16-13(23(26,27)28)3-1-7-31-16/h1-4,7-8,11,21H,5-6,9-10,12,30H2,(H2,29,33)(H,32,35,37)
InChIKeyOAKTUZHANZGXOY-UHFFFAOYSA-N
XLogP3.32
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.48
LogP ≤ 53.32
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-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873296) is 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is Nc1ncc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1.
What is the InChIKey of 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is OAKTUZHANZGXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N8O2/c24-21(25)38-12-22(30)5-9-36(10-6-22)15-4-2-8-32-19(15)35-20(37)17-18(29)33-11-14(34-17)16-13(23(26,27)28)3-1-7-31-16/h1-4,7-8,11,21H,5-6,9-10,12,30H2,(H2,29,33)(H,32,35,37).
What are the key properties of 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 538.48 g/mol, XLogP of 3.32, 7 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-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).