5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C27H24F5N7O2 — CID 155252652

IUPAC5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C2CCc3cc(F)ccc32)C[C@@H]1F
InChIInChI=1S/C27H24F5N7O2/c1-41-26-17(7-14(9-34-26)22-8-18(27(30,31)32)23-24(33)35-12-36-39(22)23)25(40)37-20-11-38(10-19(20)29)21-5-2-13-6-15(28)3-4-16(13)21/h3-4,6-9,12,19-21H,2,5,10-11H2,1H3,(H,37,40)(H2,33,35,36)/t19-,20+,21?/m0/s1
InChIKeyQCDILDQSDDEWRI-MCOCGALXSA-N
MW573.53 g/mol
LogP3.98
Rot. Bonds5

About 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 155252652) has the molecular formula C27H24F5N7O2 and a molecular weight of 573.53 g/mol. Its IUPAC name is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID155252652
Molecular FormulaC27H24F5N7O2
Molecular Weight573.53 g/mol
Exact Mass573.19
IUPAC Name5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C2CCc3cc(F)ccc32)C[C@@H]1F
InChIInChI=1S/C27H24F5N7O2/c1-41-26-17(7-14(9-34-26)22-8-18(27(30,31)32)23-24(33)35-12-36-39(22)23)25(40)37-20-11-38(10-19(20)29)21-5-2-13-6-15(28)3-4-16(13)21/h3-4,6-9,12,19-21H,2,5,10-11H2,1H3,(H,37,40)(H2,33,35,36)/t19-,20+,21?/m0/s1
InChIKeyQCDILDQSDDEWRI-MCOCGALXSA-N
XLogP3.98
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252919
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2,6-difluorobenzoyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252411
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(2-fluoro-2-methylpropanoyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251875
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(piperidine-1-carbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349232
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2-cyclohexylacetyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251841
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251595
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[(2,6-dichlorophenyl)methyl]-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252482
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349039
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349052
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(4-fluoro-1-propan-2-ylsulfonylpyrrolidin-3-yl)-2-methoxypyridine-3-carboxamide
CID 155253090
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[4-fluoro-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251692
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[(3,4-difluorophenyl)methyl]-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252336

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 155252652) is 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(C(F)(F)F)c3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C2CCc3cc(F)ccc32)C[C@@H]1F.
What is the InChIKey of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is QCDILDQSDDEWRI-MCOCGALXSA-N. The full InChI is InChI=1S/C27H24F5N7O2/c1-41-26-17(7-14(9-34-26)22-8-18(27(30,31)32)23-24(33)35-12-36-39(22)23)25(40)37-20-11-38(10-19(20)29)21-5-2-13-6-15(28)3-4-16(13)21/h3-4,6-9,12,19-21H,2,5,10-11H2,1H3,(H,37,40)(H2,33,35,36)/t19-,20+,21?/m0/s1.
What are the key properties of 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 573.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155252652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).