1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide

C21H17N5O3S — CID 86973617

IUPAC1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cnn3c(-c4ccccc4)ccnc13)CC2
InChIInChI=1S/C21H17N5O3S/c22-30(28,29)16-7-6-15-9-11-25(19(15)12-16)21(27)17-13-24-26-18(8-10-23-20(17)26)14-4-2-1-3-5-14/h1-8,10,12-13H,9,11H2,(H2,22,28,29)
InChIKeyITCUYRCAWQHVLP-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.25
Rot. Bonds3

About 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide

1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 86973617) has the molecular formula C21H17N5O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID86973617
Molecular FormulaC21H17N5O3S
Molecular Weight419.47 g/mol
Exact Mass419.11
IUPAC Name1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cnn3c(-c4ccccc4)ccnc13)CC2
InChIInChI=1S/C21H17N5O3S/c22-30(28,29)16-7-6-15-9-11-25(19(15)12-16)21(27)17-13-24-26-18(8-10-23-20(17)26)14-4-2-1-3-5-14/h1-8,10,12-13H,9,11H2,(H2,22,28,29)
InChIKeyITCUYRCAWQHVLP-UHFFFAOYSA-N
XLogP2.25
TPSA110.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide 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

3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55663997
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 99812180
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46488983
(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 97082981
1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 174219961
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 174219886
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107965281
1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973655

Frequently Asked Questions

What is the IUPAC name of 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide (CID 86973617) is 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cnn3c(-c4ccccc4)ccnc13)CC2.
What is the InChIKey of 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ITCUYRCAWQHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S/c22-30(28,29)16-7-6-15-9-11-25(19(15)12-16)21(27)17-13-24-26-18(8-10-23-20(17)26)14-4-2-1-3-5-14/h1-8,10,12-13H,9,11H2,(H2,22,28,29).
What are the key properties of 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide?
1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 419.47 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86973617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).