3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C28H29F3N8O2 — CID 118900356

IUPAC3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC3C[C@@H](C1)C32
InChIInChI=1S/C28H29F3N8O2/c29-28(30,31)18-3-4-21(38-6-8-41-9-7-38)36-23(18)19-12-34-25(32)24(35-19)27(40)37-26-20(2-1-5-33-26)39-13-16-10-15-11-17(14-39)22(15)16/h1-5,12,15-17,22H,6-11,13-14H2,(H2,32,34)(H,33,37,40)/t15?,16-,17+,22?
InChIKeyRHPDPCHEKLZIOI-JNEVZFNKSA-N
MW566.59 g/mol
LogP3.72
Rot. Bonds5

About 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118900356) has the molecular formula C28H29F3N8O2 and a molecular weight of 566.59 g/mol. Its IUPAC name is 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118900356
Molecular FormulaC28H29F3N8O2
Molecular Weight566.59 g/mol
Exact Mass566.24
IUPAC Name3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC3C[C@@H](C1)C32
InChIInChI=1S/C28H29F3N8O2/c29-28(30,31)18-3-4-21(38-6-8-41-9-7-38)36-23(18)19-12-34-25(32)24(35-19)27(40)37-26-20(2-1-5-33-26)39-13-16-10-15-11-17(14-39)22(15)16/h1-5,12,15-17,22H,6-11,13-14H2,(H2,32,34)(H,33,37,40)/t15?,16-,17+,22?
InChIKeyRHPDPCHEKLZIOI-JNEVZFNKSA-N
XLogP3.72
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.59
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-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-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118900356) is 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC3C[C@@H](C1)C32.
What is the InChIKey of 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is RHPDPCHEKLZIOI-JNEVZFNKSA-N. The full InChI is InChI=1S/C28H29F3N8O2/c29-28(30,31)18-3-4-21(38-6-8-41-9-7-38)36-23(18)19-12-34-25(32)24(35-19)27(40)37-26-20(2-1-5-33-26)39-13-16-10-15-11-17(14-39)22(15)16/h1-5,12,15-17,22H,6-11,13-14H2,(H2,32,34)(H,33,37,40)/t15?,16-,17+,22?.
What are the key properties of 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 566.59 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(1S,5R)-7-azatricyclo[3.3.1.03,9]nonan-7-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118900356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).