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

C23H23F5N8O3 — CID 118875821

IUPAC3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1
InChIInChI=1S/C23H23F5N8O3/c24-21(25)38-12-22(30)5-9-36(10-6-22)14-3-1-8-32-19(14)35-20(37)17-18(29)33-11-13(34-17)16-15(4-2-7-31-16)39-23(26,27)28/h1-4,7-8,11,21H,5-6,9-10,12,30H2,(H2,29,33)(H,32,35,37)
InChIKeyDSJDMJAWKIASAB-UHFFFAOYSA-N
MW554.48 g/mol
LogP3.20
Rot. Bonds8

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

3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118875821) has the molecular formula C23H23F5N8O3 and a molecular weight of 554.48 g/mol. Its IUPAC name is 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118875821
Molecular FormulaC23H23F5N8O3
Molecular Weight554.48 g/mol
Exact Mass554.18
IUPAC Name3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2OC(F)(F)F)nc1C(=O)Nc1ncccc1N1CCC(N)(COC(F)F)CC1
InChIInChI=1S/C23H23F5N8O3/c24-21(25)38-12-22(30)5-9-36(10-6-22)14-3-1-8-32-19(14)35-20(37)17-18(29)33-11-13(34-17)16-15(4-2-7-31-16)39-23(26,27)28/h1-4,7-8,11,21H,5-6,9-10,12,30H2,(H2,29,33)(H,32,35,37)
InChIKeyDSJDMJAWKIASAB-UHFFFAOYSA-N
XLogP3.20
TPSA154.40 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.48
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide (CID 118875821) is 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-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-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is Nc1ncc(-c2ncccc2OC(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-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is DSJDMJAWKIASAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N8O3/c24-21(25)38-12-22(30)5-9-36(10-6-22)14-3-1-8-32-19(14)35-20(37)17-18(29)33-11-13(34-17)16-15(4-2-7-31-16)39-23(26,27)28/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-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 554.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 10 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-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118875821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).