N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine

C27H29F2N7O — CID 118164325

IUPACN-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc2ncc(-c3nc(NC4CCN(Cc5ccccc5)CC4)c(F)c(N4CCOCC4)n3)n2c1
InChIInChI=1S/C27H29F2N7O/c28-20-6-7-23-30-16-22(36(23)18-20)25-32-26(24(29)27(33-25)35-12-14-37-15-13-35)31-21-8-10-34(11-9-21)17-19-4-2-1-3-5-19/h1-7,16,18,21H,8-15,17H2,(H,31,32,33)
InChIKeyQYZFRPKRSCVGNT-UHFFFAOYSA-N
MW505.57 g/mol
LogP3.98
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 118164325) has the molecular formula C27H29F2N7O and a molecular weight of 505.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID118164325
Molecular FormulaC27H29F2N7O
Molecular Weight505.57 g/mol
Exact Mass505.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc2ncc(-c3nc(NC4CCN(Cc5ccccc5)CC4)c(F)c(N4CCOCC4)n3)n2c1
InChIInChI=1S/C27H29F2N7O/c28-20-6-7-23-30-16-22(36(23)18-20)25-32-26(24(29)27(33-25)35-12-14-37-15-13-35)31-21-8-10-34(11-9-21)17-19-4-2-1-3-5-19/h1-7,16,18,21H,8-15,17H2,(H,31,32,33)
InChIKeyQYZFRPKRSCVGNT-UHFFFAOYSA-N
XLogP3.98
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine (CID 118164325) is N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine is Fc1ccc2ncc(-c3nc(NC4CCN(Cc5ccccc5)CC4)c(F)c(N4CCOCC4)n3)n2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is QYZFRPKRSCVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O/c28-20-6-7-23-30-16-22(36(23)18-20)25-32-26(24(29)27(33-25)35-12-14-37-15-13-35)31-21-8-10-34(11-9-21)17-19-4-2-1-3-5-19/h1-7,16,18,21H,8-15,17H2,(H,31,32,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 505.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 118164325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).