[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone

C22H23N5O2 — CID 95872818

IUPAC[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3)[C@H](C)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-15-26(18-6-8-19(29-2)9-7-18)11-12-27(16)22(28)17-13-24-21(25-14-17)20-5-3-4-10-23-20/h3-10,13-14,16H,11-12,15H2,1-2H3/t16-/m1/s1
InChIKeyNMGQRNYJKNRFFF-MRXNPFEDSA-N
MW389.46 g/mol
LogP2.90
Rot. Bonds4

About [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone

[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone (PubChem CID 95872818) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
PubChem CID95872818
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3)[C@H](C)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-16-15-26(18-6-8-19(29-2)9-7-18)11-12-27(16)22(28)17-13-24-21(25-14-17)20-5-3-4-10-23-20/h3-10,13-14,16H,11-12,15H2,1-2H3/t16-/m1/s1
InChIKeyNMGQRNYJKNRFFF-MRXNPFEDSA-N
XLogP2.90
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-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

[(2S)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 93340769
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
methyl 4-[4-(4-indazol-1-ylbenzoyl)-3-methylpiperazin-1-yl]benzoate
CID 166335484
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889415
3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414
4-(4-methoxyphenyl)-1-[(2-methoxy-3-pyridinyl)methyl]-2-methylpiperazine
CID 131944864
(2R)-4-[4-(2-methoxyethoxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 166758998
3-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95876614
N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741149

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone (CID 95872818) is [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone is COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3)[C@H](C)C2)cc1.
What is the InChIKey of [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
The InChIKey is NMGQRNYJKNRFFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-15-26(18-6-8-19(29-2)9-7-18)11-12-27(16)22(28)17-13-24-21(25-14-17)20-5-3-4-10-23-20/h3-10,13-14,16H,11-12,15H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone?
[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95872818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).