[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

C23H23FN4O — CID 138711638

IUPAC[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1
InChIInChI=1S/C23H23FN4O/c1-15-5-4-10-28(14-15)22(29)20-7-3-2-6-18(20)16-8-9-19(21(24)11-16)17-12-26-23(25)27-13-17/h2-3,6-9,11-13,15H,4-5,10,14H2,1H3,(H2,25,26,27)/t15-/m1/s1
InChIKeyGFUHJNFJMZYDBH-OAHLLOKOSA-N
MW390.46 g/mol
LogP4.40
Rot. Bonds3

About [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone

[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 138711638) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID138711638
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1
InChIInChI=1S/C23H23FN4O/c1-15-5-4-10-28(14-15)22(29)20-7-3-2-6-18(20)16-8-9-19(21(24)11-16)17-12-26-23(25)27-13-17/h2-3,6-9,11-13,15H,4-5,10,14H2,1H3,(H2,25,26,27)/t15-/m1/s1
InChIKeyGFUHJNFJMZYDBH-OAHLLOKOSA-N
XLogP4.40
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone 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

[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 123963220
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535
CID 90319937
CID 90319937
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
CID 138712237
1-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenoxy]propan-2-one
CID 123818234
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 129456810
3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
CID 90313146
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone (CID 138711638) is [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is C[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1.
What is the InChIKey of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is GFUHJNFJMZYDBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15-5-4-10-28(14-15)22(29)20-7-3-2-6-18(20)16-8-9-19(21(24)11-16)17-12-26-23(25)27-13-17/h2-3,6-9,11-13,15H,4-5,10,14H2,1H3,(H2,25,26,27)/t15-/m1/s1.
What are the key properties of [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone?
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 390.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 138711638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).