2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

C23H24FN5O3 — CID 59576917

IUPAC2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCc1cc(C(=O)N2C[C@@H]3C(N(C)c4nc(-c5ccncc5F)cc(=O)n4C)[C@@H]3C2)c(C)o1
InChIInChI=1S/C23H24FN5O3/c1-12-7-15(13(2)32-12)22(31)29-10-16-17(11-29)21(16)28(4)23-26-19(8-20(30)27(23)3)14-5-6-25-9-18(14)24/h5-9,16-17,21H,10-11H2,1-4H3/t16-,17+,21?
InChIKeyQPSRDADNLKEPHI-QRTHJKPMSA-N
MW437.48 g/mol
LogP2.40
Rot. Bonds4

About 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one

2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (PubChem CID 59576917) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
PubChem CID59576917
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
SMILESCc1cc(C(=O)N2C[C@@H]3C(N(C)c4nc(-c5ccncc5F)cc(=O)n4C)[C@@H]3C2)c(C)o1
InChIInChI=1S/C23H24FN5O3/c1-12-7-15(13(2)32-12)22(31)29-10-16-17(11-29)21(16)28(4)23-26-19(8-20(30)27(23)3)14-5-6-25-9-18(14)24/h5-9,16-17,21H,10-11H2,1-4H3/t16-,17+,21?
InChIKeyQPSRDADNLKEPHI-QRTHJKPMSA-N
XLogP2.40
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one with MolForge

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Related Compounds

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-(4-methylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
CID 59576742
2-[[(1S,5R)-3-(3-fluoro-4-methylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576795
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-(3-methylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
CID 59576932
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
CID 59576988
2-[[(1R,5S)-3-(2-chloropyridine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576997
4-[(1R,5S)-6-[[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]-methylamino]-3-azabicyclo[3.1.0]hexane-3-carbonyl]benzonitrile
CID 59576882
[1-[(1S,5R)-6-[[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]-methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl] acetate
CID 67426578
2-[[(1S,5R)-3-(1,3-benzoxazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576755
2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 71128887
2-[[3-(2,3-difluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 140556802
2-[[(1S,5R)-3-(1-cyclopentyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576864
2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576956

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one (CID 59576917) is 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is Cc1cc(C(=O)N2C[C@@H]3C(N(C)c4nc(-c5ccncc5F)cc(=O)n4C)[C@@H]3C2)c(C)o1.
What is the InChIKey of 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
The InChIKey is QPSRDADNLKEPHI-QRTHJKPMSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-12-7-15(13(2)32-12)22(31)29-10-16-17(11-29)21(16)28(4)23-26-19(8-20(30)27(23)3)14-5-6-25-9-18(14)24/h5-9,16-17,21H,10-11H2,1-4H3/t16-,17+,21?.
What are the key properties of 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one?
2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one has a molecular weight of 437.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 59576917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).