methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate

C23H26N4O2 — CID 159206395

IUPACmethyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1[C@@H]1CN(C)C[C@H]1C
InChIInChI=1S/C23H26N4O2/c1-16-14-26(2)15-22(16)27-21(20(13-25-27)17-7-5-4-6-8-17)11-18-12-24-10-9-19(18)23(28)29-3/h4-10,12-13,16,22H,11,14-15H2,1-3H3/t16-,22-/m1/s1
InChIKeyHEGYLLVSSDFOOE-OPAMFIHVSA-N
MW390.49 g/mol
LogP3.45
Rot. Bonds5

About methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate

methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate (PubChem CID 159206395) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
PubChem CID159206395
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Namemethyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1[C@@H]1CN(C)C[C@H]1C
InChIInChI=1S/C23H26N4O2/c1-16-14-26(2)15-22(16)27-21(20(13-25-27)17-7-5-4-6-8-17)11-18-12-24-10-9-19(18)23(28)29-3/h4-10,12-13,16,22H,11,14-15H2,1-3H3/t16-,22-/m1/s1
InChIKeyHEGYLLVSSDFOOE-OPAMFIHVSA-N
XLogP3.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-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

3-[[1-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961708
methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 160510885
methyl 3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-methyl-3-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate
CID 160621511
methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate
CID 118969838
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid
CID 160561273
methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylate;1-methyl-3-phenylpyrazol-5-amine;3-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
CID 159486109
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 153148612
3-[[1-[(3R,4S)-4-methylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylic acid
CID 118961706
methyl 3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylate
CID 149358041
methyl 3-(4,5-diphenylpyrazol-1-yl)propanoate
CID 14723696
methyl 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylate
CID 148583128

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate (CID 159206395) is methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate is COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1[C@@H]1CN(C)C[C@H]1C.
What is the InChIKey of methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?
The InChIKey is HEGYLLVSSDFOOE-OPAMFIHVSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-14-26(2)15-22(16)27-21(20(13-25-27)17-7-5-4-6-8-17)11-18-12-24-10-9-19(18)23(28)29-3/h4-10,12-13,16,22H,11,14-15H2,1-3H3/t16-,22-/m1/s1.
What are the key properties of methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate?
methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate has a molecular weight of 390.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate is sourced from PubChem (CID 159206395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).