[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C22H25N5O2 — CID 124946819

IUPAC[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(Nc2ncccc2C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)c1
InChIInChI=1S/C22H25N5O2/c1-15-14-24-26-20(15)19-10-3-4-12-27(19)22(28)18-9-6-11-23-21(18)25-16-7-5-8-17(13-16)29-2/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyCBCQZTQRKGVHMX-LJQANCHMSA-N
MW391.48 g/mol
LogP4.23
Rot. Bonds5

About [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124946819) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124946819
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(Nc2ncccc2C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)c1
InChIInChI=1S/C22H25N5O2/c1-15-14-24-26-20(15)19-10-3-4-12-27(19)22(28)18-9-6-11-23-21(18)25-16-7-5-8-17(13-16)29-2/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyCBCQZTQRKGVHMX-LJQANCHMSA-N
XLogP4.23
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-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

(2-methoxy-3-methylphenyl)-[(2S)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92561339
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
(2,5-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218061
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685
(3-methoxyphenyl)-[2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913590
1-[(4S)-1-[2-(3-methoxyanilino)pyridine-3-carbonyl]azepan-4-yl]-N-methylpyrazole-4-carboxamide
CID 124999126
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 46974434
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
3-[4-[2-(3-methoxyanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110150714
(3-methoxyphenyl)-[(2R)-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 92599438

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124946819) is [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is COc1cccc(Nc2ncccc2C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)c1.
What is the InChIKey of [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is CBCQZTQRKGVHMX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-14-24-26-20(15)19-10-3-4-12-27(19)22(28)18-9-6-11-23-21(18)25-16-7-5-8-17(13-16)29-2/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-3-pyridinyl]-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124946819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).