(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one

C20H20N4O2 — CID 7428290

IUPAC(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
SMILESCc1ccc(-n2nc(C)c([C@@]3(O)C(=O)N(C)c4ccccc43)c2N)cc1
InChIInChI=1S/C20H20N4O2/c1-12-8-10-14(11-9-12)24-18(21)17(13(2)22-24)20(26)15-6-4-5-7-16(15)23(3)19(20)25/h4-11,26H,21H2,1-3H3/t20-/m1/s1
InChIKeyGJMMLBPASVWOKL-HXUWFJFHSA-N
MW348.41 g/mol
LogP2.28
Rot. Bonds2

About (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one

(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one (PubChem CID 7428290) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
PubChem CID7428290
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
SMILESCc1ccc(-n2nc(C)c([C@@]3(O)C(=O)N(C)c4ccccc43)c2N)cc1
InChIInChI=1S/C20H20N4O2/c1-12-8-10-14(11-9-12)24-18(21)17(13(2)22-24)20(26)15-6-4-5-7-16(15)23(3)19(20)25/h4-11,26H,21H2,1-3H3/t20-/m1/s1
InChIKeyGJMMLBPASVWOKL-HXUWFJFHSA-N
XLogP2.28
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one
CID 4077311
3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-3-hydroxy-1-methylindol-2-one
CID 166988820
(3R)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293742
(3S)-6'-amino-1,3'-dimethyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1293740
(3S)-3-[5-amino-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-hydroxy-1H-indol-2-one
CID 2380072
(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 7428045
6-amino-3-methyl-1-(4-methylphenyl)-2'-oxo-1'-prop-2-ynylspiro[7H-pyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
CID 135621349
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3R)-3-[5-amino-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
CID 7428276
(3R)-6'-amino-3'-methyl-1-[(4-methylphenyl)methyl]-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 2024411
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3S)-3-[5-amino-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-5-bromo-3-hydroxy-1H-indol-2-one
CID 99807246

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The IUPAC name of (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one (CID 7428290) is (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The canonical SMILES for (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one is Cc1ccc(-n2nc(C)c([C@@]3(O)C(=O)N(C)c4ccccc43)c2N)cc1.
What is the InChIKey of (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
The InChIKey is GJMMLBPASVWOKL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-8-10-14(11-9-12)24-18(21)17(13(2)22-24)20(26)15-6-4-5-7-16(15)23(3)19(20)25/h4-11,26H,21H2,1-3H3/t20-/m1/s1.
What are the key properties of (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one?
(3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-amino-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-3-hydroxy-1-methylindol-2-one is sourced from PubChem (CID 7428290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).