5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C17H17F2N7O2 — CID 139348779

About 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 139348779) has the molecular formula C17H17F2N7O2 and a molecular weight of 389.37 g/mol. Its IUPAC name is 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 139348779
• Molecular Formula: C17H17F2N7O2
• Molecular Weight: 389.37 g/mol
• Exact Mass: 389.14
• IUPAC Name: 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2cc(F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CNC[C@@H]1F
• InChI: InChI=1S/C17H17F2N7O2/c1-28-17-9(16(27)25-12-6-21-5-11(12)19)2-8(4-22-17)13-3-10(18)14-15(20)23-7-24-26(13)14/h2-4,7,11-12,21H,5-6H2,1H3,(H,25,27)(H2,20,23,24)/t11-,12+/m0/s1
• InChIKey: IGWSKIFPTYPDRW-NWDGAFQWSA-N
• XLogP: 0.56
• TPSA: 119.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.37
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 139348779) is 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CNC[C@@H]1F.

What is the InChIKey of 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

The InChIKey is IGWSKIFPTYPDRW-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H17F2N7O2/c1-28-17-9(16(27)25-12-6-21-5-11(12)19)2-8(4-22-17)13-3-10(18)14-15(20)23-7-24-26(13)14/h2-4,7,11-12,21H,5-6H2,1H3,(H,25,27)(H2,20,23,24)/t11-,12+/m0/s1.

What are the key properties of 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?

5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 139348779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).