methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate

C24H27N5O3 — CID 86279298

IUPACmethyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)cnn1C
InChIInChI=1S/C24H27N5O3/c1-16-6-4-13-26-22(16)29(19-7-5-12-25-14-19)23(30)18-10-8-17(9-11-18)20-15-27-28(2)21(20)24(31)32-3/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3/t19-/m1/s1
InChIKeyVDRAMRAAPSBWGS-LJQANCHMSA-N
MW433.51 g/mol
LogP2.98
Rot. Bonds5

About methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate

methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate (PubChem CID 86279298) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
PubChem CID86279298
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namemethyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)cnn1C
InChIInChI=1S/C24H27N5O3/c1-16-6-4-13-26-22(16)29(19-7-5-12-25-14-19)23(30)18-10-8-17(9-11-18)20-15-27-28(2)21(20)24(31)32-3/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3/t19-/m1/s1
InChIKeyVDRAMRAAPSBWGS-LJQANCHMSA-N
XLogP2.98
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate (CID 86279298) is methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate is COC(=O)c1c(-c2ccc(C(=O)N(c3ncccc3C)[C@@H]3CCCNC3)cc2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate?
The InChIKey is VDRAMRAAPSBWGS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-6-4-13-26-22(16)29(19-7-5-12-25-14-19)23(30)18-10-8-17(9-11-18)20-15-27-28(2)21(20)24(31)32-3/h4,6,8-11,13,15,19,25H,5,7,12,14H2,1-3H3/t19-/m1/s1.
What are the key properties of methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate?
methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]pyrazole-5-carboxylate is sourced from PubChem (CID 86279298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).