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

C25H36FN9O — CID 171551611

IUPAC3-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
SMILESCNc1nc(N)nn2ccc(-c3ccc4nc(C)n(C(C)C)c4n3)c12.COCCN1CCCC(F)C1
InChIInChI=1S/C17H20N8.C8H16FNO/c1-9(2)25-10(3)20-13-6-5-12(21-16(13)25)11-7-8-24-14(11)15(19-4)22-17(18)23-24;1-11-6-5-10-4-2-3-8(9)7-10/h5-9H,1-4H3,(H3,18,19,22,23);8H,2-7H2,1H3
InChIKeyYIIUHPYDJJOOLS-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.72
Rot. Bonds6

About 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

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 (PubChem CID 171551611) has the molecular formula C25H36FN9O and a molecular weight of 497.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID171551611
Molecular FormulaC25H36FN9O
Molecular Weight497.62 g/mol
Exact Mass497.30
IUPAC Name3-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
SMILESCNc1nc(N)nn2ccc(-c3ccc4nc(C)n(C(C)C)c4n3)c12.COCCN1CCCC(F)C1
InChIInChI=1S/C17H20N8.C8H16FNO/c1-9(2)25-10(3)20-13-6-5-12(21-16(13)25)11-7-8-24-14(11)15(19-4)22-17(18)23-24;1-11-6-5-10-4-2-3-8(9)7-10/h5-9H,1-4H3,(H3,18,19,22,23);8H,2-7H2,1H3
InChIKeyYIIUHPYDJJOOLS-UHFFFAOYSA-N
XLogP3.72
TPSA111.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc(N)nn2ccc(-c3ccc4nc(C)n(C(C)C)c4n3)c12.COCCN1CCCC(F)C1.
What is the InChIKey of 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?
The InChIKey is YIIUHPYDJJOOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8.C8H16FNO/c1-9(2)25-10(3)20-13-6-5-12(21-16(13)25)11-7-8-24-14(11)15(19-4)22-17(18)23-24;1-11-6-5-10-4-2-3-8(9)7-10/h5-9H,1-4H3,(H3,18,19,22,23);8H,2-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 497.62 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171551611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).