[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

C27H31N5O3 — CID 125016518

IUPAC[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESCc1cc(Oc2ccccc2C)nc([C@H]2CCCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)n1
InChIInChI=1S/C27H31N5O3/c1-19-6-3-4-8-23(19)35-25-16-20(2)29-26(30-25)22-7-5-11-32(18-22)27(33)21-9-10-28-24(17-21)31-12-14-34-15-13-31/h3-4,6,8-10,16-17,22H,5,7,11-15,18H2,1-2H3/t22-/m0/s1
InChIKeyXBBJIWIZUGBSHV-QFIPXVFZSA-N
MW473.58 g/mol
LogP4.14
Rot. Bonds5

About [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (PubChem CID 125016518) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
PubChem CID125016518
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESCc1cc(Oc2ccccc2C)nc([C@H]2CCCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)n1
InChIInChI=1S/C27H31N5O3/c1-19-6-3-4-8-23(19)35-25-16-20(2)29-26(30-25)22-7-5-11-32(18-22)27(33)21-9-10-28-24(17-21)31-12-14-34-15-13-31/h3-4,6,8-10,16-17,22H,5,7,11-15,18H2,1-2H3/t22-/m0/s1
InChIKeyXBBJIWIZUGBSHV-QFIPXVFZSA-N
XLogP4.14
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)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

[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124995367
[3-[6-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150409
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150697
[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95844097
[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124988915
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110256190
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 110256239
[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110150215

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (CID 125016518) is [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)n1.
What is the InChIKey of [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The InChIKey is XBBJIWIZUGBSHV-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-19-6-3-4-8-23(19)35-25-16-20(2)29-26(30-25)22-7-5-11-32(18-22)27(33)21-9-10-28-24(17-21)31-12-14-34-15-13-31/h3-4,6,8-10,16-17,22H,5,7,11-15,18H2,1-2H3/t22-/m0/s1.
What are the key properties of [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone has a molecular weight of 473.58 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is sourced from PubChem (CID 125016518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).