(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C20H20BrFN4O2 — CID 92866236

IUPAC(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1oc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)c2c1C
InChIInChI=1S/C20H20BrFN4O2/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-3-4-13(9-26)19(27)25-16-6-5-14(21)8-15(16)22/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,25,27)/t13-/m0/s1
InChIKeyGPQIKMPQBXZAAZ-ZDUSSCGKSA-N
MW447.31 g/mol
LogP4.60
Rot. Bonds3

About (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92866236) has the molecular formula C20H20BrFN4O2 and a molecular weight of 447.31 g/mol. Its IUPAC name is (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92866236
Molecular FormulaC20H20BrFN4O2
Molecular Weight447.31 g/mol
Exact Mass446.08
IUPAC Name(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1oc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)c2c1C
InChIInChI=1S/C20H20BrFN4O2/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-3-4-13(9-26)19(27)25-16-6-5-14(21)8-15(16)22/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,25,27)/t13-/m0/s1
InChIKeyGPQIKMPQBXZAAZ-ZDUSSCGKSA-N
XLogP4.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide 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

N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
N-(4-chloro-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289955
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 92866265
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92866341
(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92692710
(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 46290070
(3S)-N-(2,5-difluorophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866538
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92866236) is (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1oc2ncnc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)c2c1C.
What is the InChIKey of (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is GPQIKMPQBXZAAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20BrFN4O2/c1-11-12(2)28-20-17(11)18(23-10-24-20)26-7-3-4-13(9-26)19(27)25-16-6-5-14(21)8-15(16)22/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,25,27)/t13-/m0/s1.
What are the key properties of (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 447.31 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92866236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).