(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C21H25FN8 — CID 171551078

IUPAC(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCN1CCC[C@@H](F)C1.CNc1nc(N)nn2ccc(-c3ccc4ncccc4n3)c12
InChIInChI=1S/C15H13N7.C6H12FN/c1-17-14-13-9(6-8-22(13)21-15(16)20-14)10-4-5-11-12(19-10)3-2-7-18-11;1-8-4-2-3-6(7)5-8/h2-8H,1H3,(H3,16,17,20,21);6H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyLWYYNVDFUCQFNY-FCXZQVPUSA-N
MW408.49 g/mol
LogP3.01
Rot. Bonds2

About (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551078) has the molecular formula C21H25FN8 and a molecular weight of 408.49 g/mol. Its IUPAC name is (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171551078
Molecular FormulaC21H25FN8
Molecular Weight408.49 g/mol
Exact Mass408.22
IUPAC Name(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCN1CCC[C@@H](F)C1.CNc1nc(N)nn2ccc(-c3ccc4ncccc4n3)c12
InChIInChI=1S/C15H13N7.C6H12FN/c1-17-14-13-9(6-8-22(13)21-15(16)20-14)10-4-5-11-12(19-10)3-2-7-18-11;1-8-4-2-3-6(7)5-8/h2-8H,1H3,(H3,16,17,20,21);6H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyLWYYNVDFUCQFNY-FCXZQVPUSA-N
XLogP3.01
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Related Compounds

ethane-1,2-diol;methylcyclobutane;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550970
2-N-[(3S,4S)-3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551735
3-fluoro-1-(2-methoxyethyl)piperidine;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551611
1-[4-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 171551474
1-methyl-3-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutan-1-ol
CID 171551508
2-N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-4-N-methyl-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551011
4-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 171551869
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone
CID 171551370
2-N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733829
5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178001056
(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551090
3,3-difluoro-1-methylpiperidine;5-[3-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;ethane
CID 178000949

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551078) is (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CN1CCC[C@@H](F)C1.CNc1nc(N)nn2ccc(-c3ccc4ncccc4n3)c12.
What is the InChIKey of (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is LWYYNVDFUCQFNY-FCXZQVPUSA-N. The full InChI is InChI=1S/C15H13N7.C6H12FN/c1-17-14-13-9(6-8-22(13)21-15(16)20-14)10-4-5-11-12(19-10)3-2-7-18-11;1-8-4-2-3-6(7)5-8/h2-8H,1H3,(H3,16,17,20,21);6H,2-5H2,1H3/t;6-/m.1/s1.
What are the key properties of (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
(3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 408.49 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-methylpiperidine;4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).