6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one

C23H20F4N6O2 — CID 59576790

IUPAC6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
SMILESCN(c1nc(-c2ccncc2F)cc(=O)n1C)C1[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]12
InChIInChI=1S/C23H20F4N6O2/c1-31-19(34)7-17(13-5-6-28-9-16(13)24)30-22(31)32(2)20-14-10-33(11-15(14)20)21(35)12-3-4-18(29-8-12)23(25,26)27/h3-9,14-15,20H,10-11H2,1-2H3/t14-,15+,20?
InChIKeyUFCRWGMUJRXTKG-DBIVSCPCSA-N
MW488.45 g/mol
LogP2.60
Rot. Bonds4

About 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one (PubChem CID 59576790) has the molecular formula C23H20F4N6O2 and a molecular weight of 488.45 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
PubChem CID59576790
Molecular FormulaC23H20F4N6O2
Molecular Weight488.45 g/mol
Exact Mass488.16
IUPAC Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
SMILESCN(c1nc(-c2ccncc2F)cc(=O)n1C)C1[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]12
InChIInChI=1S/C23H20F4N6O2/c1-31-19(34)7-17(13-5-6-28-9-16(13)24)30-22(31)32(2)20-14-10-33(11-15(14)20)21(35)12-3-4-18(29-8-12)23(25,26)27/h3-9,14-15,20H,10-11H2,1-2H3/t14-,15+,20?
InChIKeyUFCRWGMUJRXTKG-DBIVSCPCSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one (CID 59576790) is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one is CN(c1nc(-c2ccncc2F)cc(=O)n1C)C1[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]12.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
The InChIKey is UFCRWGMUJRXTKG-DBIVSCPCSA-N. The full InChI is InChI=1S/C23H20F4N6O2/c1-31-19(34)7-17(13-5-6-28-9-16(13)24)30-22(31)32(2)20-14-10-33(11-15(14)20)21(35)12-3-4-18(29-8-12)23(25,26)27/h3-9,14-15,20H,10-11H2,1-2H3/t14-,15+,20?.
What are the key properties of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one has a molecular weight of 488.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one is sourced from PubChem (CID 59576790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).