1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea

C30H33ClN6O3 — CID 122578419

IUPAC1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea
SMILESCOCCN1CC(NC(=O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C30H33ClN6O3/c1-20-28(22-12-13-27(38)35(2)17-22)34-37(24-10-5-4-6-11-24)29(20)33-30(39)32-26-19-36(14-15-40-3)18-25(26)21-8-7-9-23(31)16-21/h4-13,16-17,25-26H,14-15,18-19H2,1-3H3,(H2,32,33,39)/t25-,26?/m0/s1
InChIKeyLXKGUWLCGOGWNY-PMCHYTPCSA-N
MW561.09 g/mol
LogP4.44
Rot. Bonds8

About 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea

1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea (PubChem CID 122578419) has the molecular formula C30H33ClN6O3 and a molecular weight of 561.09 g/mol. Its IUPAC name is 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea
PubChem CID122578419
Molecular FormulaC30H33ClN6O3
Molecular Weight561.09 g/mol
Exact Mass560.23
IUPAC Name1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea
SMILESCOCCN1CC(NC(=O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C30H33ClN6O3/c1-20-28(22-12-13-27(38)35(2)17-22)34-37(24-10-5-4-6-11-24)29(20)33-30(39)32-26-19-36(14-15-40-3)18-25(26)21-8-7-9-23(31)16-21/h4-13,16-17,25-26H,14-15,18-19H2,1-3H3,(H2,32,33,39)/t25-,26?/m0/s1
InChIKeyLXKGUWLCGOGWNY-PMCHYTPCSA-N
XLogP4.44
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.09
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea 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 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea (CID 122578419) is 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea is COCCN1CC(NC(=O)Nc2c(C)c(-c3ccc(=O)n(C)c3)nn2-c2ccccc2)[C@H](c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is LXKGUWLCGOGWNY-PMCHYTPCSA-N. The full InChI is InChI=1S/C30H33ClN6O3/c1-20-28(22-12-13-27(38)35(2)17-22)34-37(24-10-5-4-6-11-24)29(20)33-30(39)32-26-19-36(14-15-40-3)18-25(26)21-8-7-9-23(31)16-21/h4-13,16-17,25-26H,14-15,18-19H2,1-3H3,(H2,32,33,39)/t25-,26?/m0/s1.
What are the key properties of 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea?
1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 561.09 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(3-chlorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 122578419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).