2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one

C20H19F4N7O2 — CID 170680057

IUPAC2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESC[C@@H](Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1)c1cc(F)cnc1OCC(F)(F)F
InChIInChI=1S/C20H19F4N7O2/c1-10(12-6-11(21)7-25-17(12)33-9-20(22,23)24)27-14-4-5-31-16(28-14)13(8-26-31)15-29-18(32)19(2,3)30-15/h4-8,10H,9H2,1-3H3,(H,27,28)(H,29,30,32)/t10-/m1/s1
InChIKeyPOXSFRWIBWNONT-SNVBAGLBSA-N
MW465.41 g/mol
LogP3.03
Rot. Bonds6

About 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one

2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 170680057) has the molecular formula C20H19F4N7O2 and a molecular weight of 465.41 g/mol. Its IUPAC name is 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
PubChem CID170680057
Molecular FormulaC20H19F4N7O2
Molecular Weight465.41 g/mol
Exact Mass465.15
IUPAC Name2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
SMILESC[C@@H](Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1)c1cc(F)cnc1OCC(F)(F)F
InChIInChI=1S/C20H19F4N7O2/c1-10(12-6-11(21)7-25-17(12)33-9-20(22,23)24)27-14-4-5-31-16(28-14)13(8-26-31)15-29-18(32)19(2,3)30-15/h4-8,10H,9H2,1-3H3,(H,27,28)(H,29,30,32)/t10-/m1/s1
InChIKeyPOXSFRWIBWNONT-SNVBAGLBSA-N
XLogP3.03
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one (CID 170680057) is 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one is C[C@@H](Nc1ccn2ncc(C3=NC(C)(C)C(=O)N3)c2n1)c1cc(F)cnc1OCC(F)(F)F.
What is the InChIKey of 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is POXSFRWIBWNONT-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H19F4N7O2/c1-10(12-6-11(21)7-25-17(12)33-9-20(22,23)24)27-14-4-5-31-16(28-14)13(8-26-31)15-29-18(32)19(2,3)30-15/h4-8,10H,9H2,1-3H3,(H,27,28)(H,29,30,32)/t10-/m1/s1.
What are the key properties of 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one?
2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 465.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-1-[5-fluoro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 170680057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).