(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide

C21H25N5O2 — CID 97435699

IUPAC(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc4c(cnn4C)c3)[C@H](C)C2)cc1
InChIInChI=1S/C21H25N5O2/c1-15-14-25(18-5-7-19(28-3)8-6-18)10-11-26(15)21(27)23-17-4-9-20-16(12-17)13-22-24(20)2/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyZMKVVDGAOPZRRC-OAHLLOKOSA-N
MW379.46 g/mol
LogP3.32
Rot. Bonds3

About (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide

(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide (PubChem CID 97435699) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
PubChem CID97435699
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc4c(cnn4C)c3)[C@H](C)C2)cc1
InChIInChI=1S/C21H25N5O2/c1-15-14-25(18-5-7-19(28-3)8-6-18)10-11-26(15)21(27)23-17-4-9-20-16(12-17)13-22-24(20)2/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyZMKVVDGAOPZRRC-OAHLLOKOSA-N
XLogP3.32
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide 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

methyl 4-[3-methyl-4-(1H-pyrazol-4-ylcarbamoyl)piperazin-1-yl]benzoate
CID 51104066
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
CID 131944338
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
(2R)-4-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93292146
(2S)-4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93292163
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 127044821
(2R)-4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93292170
1-(1-methylindazol-5-yl)pyrrolidin-3-ol
CID 151995234
4-[6-chloro-2-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 4286423
N-(4,5-dimethoxy-2-methylphenyl)-4-(3,4-dimethylphenyl)-2-methylpiperazine-1-carboxamide
CID 91643944

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide (CID 97435699) is (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc4c(cnn4C)c3)[C@H](C)C2)cc1.
What is the InChIKey of (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide?
The InChIKey is ZMKVVDGAOPZRRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-14-25(18-5-7-19(28-3)8-6-18)10-11-26(15)21(27)23-17-4-9-20-16(12-17)13-22-24(20)2/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide?
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 97435699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).