1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one

C19H17F2N5O2 — CID 54732522

IUPAC1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one
SMILESO=c1cc(O)ccn1-c1cnc(NCC2(c3ncccc3F)CC(F)C2)nc1
InChIInChI=1S/C19H17F2N5O2/c20-12-7-19(8-12,17-15(21)2-1-4-22-17)11-25-18-23-9-13(10-24-18)26-5-3-14(27)6-16(26)28/h1-6,9-10,12,27H,7-8,11H2,(H,23,24,25)
InChIKeyFQMRVTOBLGTFPF-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one

1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one (PubChem CID 54732522) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one
PubChem CID54732522
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one
SMILESO=c1cc(O)ccn1-c1cnc(NCC2(c3ncccc3F)CC(F)C2)nc1
InChIInChI=1S/C19H17F2N5O2/c20-12-7-19(8-12,17-15(21)2-1-4-22-17)11-25-18-23-9-13(10-24-18)26-5-3-14(27)6-16(26)28/h1-6,9-10,12,27H,7-8,11H2,(H,23,24,25)
InChIKeyFQMRVTOBLGTFPF-UHFFFAOYSA-N
XLogP2.35
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-triazin-6-yl]-4-hydroxybenzamide
CID 136510325
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243
N-cyclobutyl-4-fluoro-3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 126545825
3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
CID 54590831
6-[5-(aminomethyl)-1,3-thiazol-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-1,2,4-triazin-3-amine
CID 67460912
[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methanamine
CID 67453255
3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 70975198
4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 70975080
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one?
The IUPAC name of 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one (CID 54732522) is 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one?
The canonical SMILES for 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one is O=c1cc(O)ccn1-c1cnc(NCC2(c3ncccc3F)CC(F)C2)nc1.
What is the InChIKey of 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one?
The InChIKey is FQMRVTOBLGTFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c20-12-7-19(8-12,17-15(21)2-1-4-22-17)11-25-18-23-9-13(10-24-18)26-5-3-14(27)6-16(26)28/h1-6,9-10,12,27H,7-8,11H2,(H,23,24,25).
What are the key properties of 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one?
1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one has a molecular weight of 385.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 54732522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).