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

C19H20F3N9 — CID 171551837

IUPAC5-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
SMILESNc1nc(NC2CCN(CC(F)(F)F)CC2)nn2ccc(-c3ccn4nccc4n3)c12
InChIInChI=1S/C19H20F3N9/c20-19(21,22)11-29-7-2-12(3-8-29)25-18-27-17(23)16-13(4-9-31(16)28-18)14-5-10-30-15(26-14)1-6-24-30/h1,4-6,9-10,12H,2-3,7-8,11H2,(H3,23,25,27,28)
InChIKeyHFWHVEMSJPPKIZ-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.46
Rot. Bonds4

About 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

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 (PubChem CID 171551837) has the molecular formula C19H20F3N9 and a molecular weight of 431.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID171551837
Molecular FormulaC19H20F3N9
Molecular Weight431.43 g/mol
Exact Mass431.18
IUPAC Name5-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
SMILESNc1nc(NC2CCN(CC(F)(F)F)CC2)nn2ccc(-c3ccn4nccc4n3)c12
InChIInChI=1S/C19H20F3N9/c20-19(21,22)11-29-7-2-12(3-8-29)25-18-27-17(23)16-13(4-9-31(16)28-18)14-5-10-30-15(26-14)1-6-24-30/h1,4-6,9-10,12H,2-3,7-8,11H2,(H3,23,25,27,28)
InChIKeyHFWHVEMSJPPKIZ-UHFFFAOYSA-N
XLogP2.46
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551470
2-N-[4-(2-methoxyethoxy)cyclohexyl]-5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552080
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
5-imidazo[1,2-b]pyridazin-6-yl-2-N-(2-oxaspiro[3.5]nonan-7-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551579
(3R)-3-[[4-amino-5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 171733631
2-N-[(3S,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methyl-5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733970
2-N-[(3R,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methyl-5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733966
2-N-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methyl-5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551651
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[1-(3-methyloxetan-3-yl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552154
2-N-(3-ethoxycyclobutyl)-5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733972
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(NC2CCN(CC(F)(F)F)CC2)nn2ccc(-c3ccn4nccc4n3)c12.
What is the InChIKey of 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?
The InChIKey is HFWHVEMSJPPKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N9/c20-19(21,22)11-29-7-2-12(3-8-29)25-18-27-17(23)16-13(4-9-31(16)28-18)14-5-10-30-15(26-14)1-6-24-30/h1,4-6,9-10,12H,2-3,7-8,11H2,(H3,23,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 431.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171551837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).