5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine

C21H26F3N9 — CID 171552268

IUPAC5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine
SMILESCCN1CC[C@@H](F)C1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1CC(F)F
InChIInChI=1S/C15H14F2N8.C6H12FN/c1-7-20-10-3-2-9(21-14(10)24(7)6-11(16)17)8-4-5-25-12(8)13(18)22-15(19)23-25;1-2-8-4-3-6(7)5-8/h2-5,11H,6H2,1H3,(H4,18,19,22,23);6H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyRVFMZQIDBXOURE-FCXZQVPUSA-N
MW461.50 g/mol
LogP2.93
Rot. Bonds4

About 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine

5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine (PubChem CID 171552268) has the molecular formula C21H26F3N9 and a molecular weight of 461.50 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine
PubChem CID171552268
Molecular FormulaC21H26F3N9
Molecular Weight461.50 g/mol
Exact Mass461.23
IUPAC Name5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine
SMILESCCN1CC[C@@H](F)C1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1CC(F)F
InChIInChI=1S/C15H14F2N8.C6H12FN/c1-7-20-10-3-2-9(21-14(10)24(7)6-11(16)17)8-4-5-25-12(8)13(18)22-15(19)23-25;1-2-8-4-3-6(7)5-8/h2-5,11H,6H2,1H3,(H4,18,19,22,23);6H,2-5H2,1H3/t;6-/m.1/s1
InChIKeyRVFMZQIDBXOURE-FCXZQVPUSA-N
XLogP2.93
TPSA116.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine?
The IUPAC name of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine (CID 171552268) is 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine.
What is the SMILES notation for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine?
The canonical SMILES for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine is CCN1CC[C@@H](F)C1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1CC(F)F.
What is the InChIKey of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine?
The InChIKey is RVFMZQIDBXOURE-FCXZQVPUSA-N. The full InChI is InChI=1S/C15H14F2N8.C6H12FN/c1-7-20-10-3-2-9(21-14(10)24(7)6-11(16)17)8-4-5-25-12(8)13(18)22-15(19)23-25;1-2-8-4-3-6(7)5-8/h2-5,11H,6H2,1H3,(H4,18,19,22,23);6H,2-5H2,1H3/t;6-/m.1/s1.
What are the key properties of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine?
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine has a molecular weight of 461.50 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine is sourced from PubChem (CID 171552268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).