(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one

C22H18N4O — CID 155511199

IUPAC(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one
SMILESC[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cnn4cccnc34)cc21
InChIInChI=1S/C22H18N4O/c1-22(13-15-6-3-2-4-7-15)18-12-16(8-9-19(18)25-21(22)27)17-14-24-26-11-5-10-23-20(17)26/h2-12,14H,13H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyAMFUWYFQXATMRX-QFIPXVFZSA-N
MW354.41 g/mol
LogP3.85
Rot. Bonds3

About (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one

(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one (PubChem CID 155511199) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one
PubChem CID155511199
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one
SMILESC[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cnn4cccnc34)cc21
InChIInChI=1S/C22H18N4O/c1-22(13-15-6-3-2-4-7-15)18-12-16(8-9-19(18)25-21(22)27)17-14-24-26-11-5-10-23-20(17)26/h2-12,14H,13H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyAMFUWYFQXATMRX-QFIPXVFZSA-N
XLogP3.85
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Eganelisib
CID 91933883
Gsk-1070916
CID 46885626
Afimetoran
CID 132271862
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Gsk2656157
CID 53469059
Gsk-2606414
CID 53469448
5-[2-(4-Fluorophenyl)-7-(4-hydroxy-1-piperidinyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one
CID 122656119
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
B-Raf IN 1
CID 24884503
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one?
The IUPAC name of (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one (CID 155511199) is (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one?
The canonical SMILES for (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one is C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cnn4cccnc34)cc21.
What is the InChIKey of (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one?
The InChIKey is AMFUWYFQXATMRX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18N4O/c1-22(13-15-6-3-2-4-7-15)18-12-16(8-9-19(18)25-21(22)27)17-14-24-26-11-5-10-23-20(17)26/h2-12,14H,13H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one?
(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one has a molecular weight of 354.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one is sourced from PubChem (CID 155511199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).