[(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid

C22H21ClN4O3 — CID 67532710

IUPAC[(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](CCn1cc(-c2ccc3c(c2)CC(=O)N3)cn1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3/c23-18-4-1-14(2-5-18)9-19(25-22(29)30)7-8-27-13-17(12-24-27)15-3-6-20-16(10-15)11-21(28)26-20/h1-6,10,12-13,19,25H,7-9,11H2,(H,26,28)(H,29,30)/t19-/m1/s1
InChIKeyLOPJSNMQHPXRRQ-LJQANCHMSA-N
MW424.89 g/mol
LogP3.97
Rot. Bonds7

About [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid

[(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid (PubChem CID 67532710) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid
PubChem CID67532710
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name[(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](CCn1cc(-c2ccc3c(c2)CC(=O)N3)cn1)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN4O3/c23-18-4-1-14(2-5-18)9-19(25-22(29)30)7-8-27-13-17(12-24-27)15-3-6-20-16(10-15)11-21(28)26-20/h1-6,10,12-13,19,25H,7-9,11H2,(H,26,28)(H,29,30)/t19-/m1/s1
InChIKeyLOPJSNMQHPXRRQ-LJQANCHMSA-N
XLogP3.97
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid 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 [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid (CID 67532710) is [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid is O=C(O)N[C@H](CCn1cc(-c2ccc3c(c2)CC(=O)N3)cn1)Cc1ccc(Cl)cc1.
What is the InChIKey of [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid?
The InChIKey is LOPJSNMQHPXRRQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-18-4-1-14(2-5-18)9-19(25-22(29)30)7-8-27-13-17(12-24-27)15-3-6-20-16(10-15)11-21(28)26-20/h1-6,10,12-13,19,25H,7-9,11H2,(H,26,28)(H,29,30)/t19-/m1/s1.
What are the key properties of [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid?
[(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid has a molecular weight of 424.89 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-chlorophenyl)-4-[4-(2-oxo-1,3-dihydroindol-5-yl)pyrazol-1-yl]butan-2-yl]carbamic acid is sourced from PubChem (CID 67532710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).