3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one

C20H20F4N6O — CID 53253191

IUPAC3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one
SMILESCc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C20H20F4N6O/c1-12-8-26-19(15-9-25-16-5-4-13(21)10-30(15)16)28-18(12)27-14-3-2-6-29(11-14)17(31)7-20(22,23)24/h4-5,8-10,14H,2-3,6-7,11H2,1H3,(H,26,27,28)/t14-/m1/s1
InChIKeyWUCKACJQVTUWKC-CQSZACIVSA-N
MW436.41 g/mol
LogP3.59
Rot. Bonds4

About 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one (PubChem CID 53253191) has the molecular formula C20H20F4N6O and a molecular weight of 436.41 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one
PubChem CID53253191
Molecular FormulaC20H20F4N6O
Molecular Weight436.41 g/mol
Exact Mass436.16
IUPAC Name3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one
SMILESCc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C20H20F4N6O/c1-12-8-26-19(15-9-25-16-5-4-13(21)10-30(15)16)28-18(12)27-14-3-2-6-29(11-14)17(31)7-20(22,23)24/h4-5,8-10,14H,2-3,6-7,11H2,1H3,(H,26,27,28)/t14-/m1/s1
InChIKeyWUCKACJQVTUWKC-CQSZACIVSA-N
XLogP3.59
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one (CID 53253191) is 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one is Cc1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is WUCKACJQVTUWKC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20F4N6O/c1-12-8-26-19(15-9-25-16-5-4-13(21)10-30(15)16)28-18(12)27-14-3-2-6-29(11-14)17(31)7-20(22,23)24/h4-5,8-10,14H,2-3,6-7,11H2,1H3,(H,26,27,28)/t14-/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 436.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53253191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).