methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate

C23H24ClN5O3 — CID 123771248

IUPACmethyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)cnn1C
InChIInChI=1S/C23H24ClN5O3/c1-28-20(23(31)32-2)18(14-27-28)15-7-9-16(10-8-15)22(30)29(17-5-3-11-25-13-17)21-19(24)6-4-12-26-21/h4,6-10,12,14,17,25H,3,5,11,13H2,1-2H3
InChIKeyVVSACFXEPFHXMQ-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.32
Rot. Bonds5

About methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate

methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate (PubChem CID 123771248) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
PubChem CID123771248
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Namemethyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)cnn1C
InChIInChI=1S/C23H24ClN5O3/c1-28-20(23(31)32-2)18(14-27-28)15-7-9-16(10-8-15)22(30)29(17-5-3-11-25-13-17)21-19(24)6-4-12-26-21/h4,6-10,12,14,17,25H,3,5,11,13H2,1-2H3
InChIKeyVVSACFXEPFHXMQ-UHFFFAOYSA-N
XLogP3.32
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate 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 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 86279298
US10717746, Example 11
CID 124155203
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
1,3-Diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
CID 3352398
Methyl 2-chloro-4-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzoate
CID 10790428
methyl 4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
CID 86279236
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2373891
4-(4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 86279168
4-[4-[isoquinolin-1-yl-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylic acid
CID 86279103
ethyl 4-(4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl)-1-methyl-1H-pyrazole-5-carboxylate
CID 86279105
1-ethoxycarbonyloxyethyl 4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
CID 86279171
[(1S)-1-ethoxycarbonyloxyethyl] 4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
CID 86279172

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate (CID 123771248) is methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3Cl)C3CCCNC3)cc2)cnn1C.
What is the InChIKey of methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is VVSACFXEPFHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-28-20(23(31)32-2)18(14-27-28)15-7-9-16(10-8-15)22(30)29(17-5-3-11-25-13-17)21-19(24)6-4-12-26-21/h4,6-10,12,14,17,25H,3,5,11,13H2,1-2H3.
What are the key properties of methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate?
methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 453.93 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(3-chloro-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 123771248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).