1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C19H23F2N9 — CID 171551738

IUPAC1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCN1CCCC(F)(F)C1.Nc1nc(N)c2c(-c3ccn4nccc4n3)ccn2n1
InChIInChI=1S/C12H10N8.C7H13F2N/c13-11-10-7(2-5-20(10)18-12(14)17-11)8-3-6-19-9(16-8)1-4-15-19;1-2-10-5-3-4-7(8,9)6-10/h1-6H,(H4,13,14,17,18);2-6H2,1H3
InChIKeyPNDBULCHCKRQBP-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.34
Rot. Bonds2

About 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551738) has the molecular formula C19H23F2N9 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171551738
Molecular FormulaC19H23F2N9
Molecular Weight415.45 g/mol
Exact Mass415.20
IUPAC Name1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCN1CCCC(F)(F)C1.Nc1nc(N)c2c(-c3ccn4nccc4n3)ccn2n1
InChIInChI=1S/C12H10N8.C7H13F2N/c13-11-10-7(2-5-20(10)18-12(14)17-11)8-3-6-19-9(16-8)1-4-15-19;1-2-10-5-3-4-7(8,9)6-10/h1-6H,(H4,13,14,17,18);2-6H2,1H3
InChIKeyPNDBULCHCKRQBP-UHFFFAOYSA-N
XLogP2.34
TPSA115.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552277
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-ethyl-3,3-difluoropyrrolidine
CID 171550892
1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178000791
1-ethylpyrrolidine;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 171551436
5-pyrazolo[1,5-a]pyrimidin-5-yl-2-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551837
1,1-difluoropropane;1-ethyl-3,3-difluoropyrrolidine;4-N-methyl-5-[6-methyl-5-(propan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550886
ethane;1-ethylcyclohexan-1-ol;2-fluorobutane;5-[6-methyl-5-(propan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551716
ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
CID 143819268
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
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
5-[3-(1,2-difluoroethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;3,3-difluoro-1-(oxetan-3-yl)piperidine
CID 178001375
2-[4-[(4-amino-5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 171733920

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551738) is 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CCN1CCCC(F)(F)C1.Nc1nc(N)c2c(-c3ccn4nccc4n3)ccn2n1.
What is the InChIKey of 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is PNDBULCHCKRQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8.C7H13F2N/c13-11-10-7(2-5-20(10)18-12(14)17-11)8-3-6-19-9(16-8)1-4-15-19;1-2-10-5-3-4-7(8,9)6-10/h1-6H,(H4,13,14,17,18);2-6H2,1H3.
What are the key properties of 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 415.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).