N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

C23H20F3N7O3 — CID 176594505

About N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (PubChem CID 176594505) has the molecular formula C23H20F3N7O3 and a molecular weight of 499.45 g/mol. Its IUPAC name is N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• PubChem CID: 176594505
• Molecular Formula: C23H20F3N7O3
• Molecular Weight: 499.45 g/mol
• Exact Mass: 499.16
• IUPAC Name: N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
• SMILES: COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1NC(=O)N1OCCC1c1ccccc1
• InChI: InChI=1S/C23H20F3N7O3/c1-35-21-16(31-22(34)33-17(7-8-36-33)13-5-3-2-4-6-13)9-14(11-28-21)18-10-15(23(24,25)26)19-20(27)29-12-30-32(18)19/h2-6,9-12,17H,7-8H2,1H3,(H,31,34)(H2,27,29,30)
• InChIKey: KVSXNTBXCCDRSH-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 119.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.45
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The IUPAC name of N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (CID 176594505) is N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

What is the SMILES notation for N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The canonical SMILES for N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1NC(=O)N1OCCC1c1ccccc1.

What is the InChIKey of N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

The InChIKey is KVSXNTBXCCDRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O3/c1-35-21-16(31-22(34)33-17(7-8-36-33)13-5-3-2-4-6-13)9-14(11-28-21)18-10-15(23(24,25)26)19-20(27)29-12-30-32(18)19/h2-6,9-12,17H,7-8H2,1H3,(H,31,34)(H2,27,29,30).

What are the key properties of N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?

N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide has a molecular weight of 499.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 176594505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).