4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine

C23H28F3N7O — CID 175656376

IUPAC4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
SMILESCc1cccc(CN2CCCC(c3nc(N4CCOCC4)c4ncn(CC(F)(F)F)c4n3)C2)n1
InChIInChI=1S/C23H28F3N7O/c1-16-4-2-6-18(28-16)13-31-7-3-5-17(12-31)20-29-21(32-8-10-34-11-9-32)19-22(30-20)33(15-27-19)14-23(24,25)26/h2,4,6,15,17H,3,5,7-14H2,1H3
InChIKeyLAZVLKKQIMREFW-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.31
Rot. Bonds5

About 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine

4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine (PubChem CID 175656376) has the molecular formula C23H28F3N7O and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
PubChem CID175656376
Molecular FormulaC23H28F3N7O
Molecular Weight475.52 g/mol
Exact Mass475.23
IUPAC Name4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
SMILESCc1cccc(CN2CCCC(c3nc(N4CCOCC4)c4ncn(CC(F)(F)F)c4n3)C2)n1
InChIInChI=1S/C23H28F3N7O/c1-16-4-2-6-18(28-16)13-31-7-3-5-17(12-31)20-29-21(32-8-10-34-11-9-32)19-22(30-20)33(15-27-19)14-23(24,25)26/h2,4,6,15,17H,3,5,7-14H2,1H3
InChIKeyLAZVLKKQIMREFW-UHFFFAOYSA-N
XLogP3.31
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine 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

4-[2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175656651
4-[2-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175654906
4-[2-[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175654865
N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
CID 175657206
N-methyl-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903124
4-[2-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131670840
N-methyl-1-(2-methylpyrazol-3-yl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
CID 175661358
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine
CID 175655183
4-[7-[(6-methyl-2-pyridinyl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 118744217
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine?
The IUPAC name of 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine (CID 175656376) is 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine?
The canonical SMILES for 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine is Cc1cccc(CN2CCCC(c3nc(N4CCOCC4)c4ncn(CC(F)(F)F)c4n3)C2)n1.
What is the InChIKey of 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine?
The InChIKey is LAZVLKKQIMREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O/c1-16-4-2-6-18(28-16)13-31-7-3-5-17(12-31)20-29-21(32-8-10-34-11-9-32)19-22(30-20)33(15-27-19)14-23(24,25)26/h2,4,6,15,17H,3,5,7-14H2,1H3.
What are the key properties of 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine?
4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine has a molecular weight of 475.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine is sourced from PubChem (CID 175656376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).