1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone

C23H21N5OS — CID 3193777

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
SMILESCc1ccccc1-n1ncc2c(SCC(=O)N3c4ccccc4CC3C)ncnc21
InChIInChI=1S/C23H21N5OS/c1-15-7-3-5-9-19(15)28-22-18(12-26-28)23(25-14-24-22)30-13-21(29)27-16(2)11-17-8-4-6-10-20(17)27/h3-10,12,14,16H,11,13H2,1-2H3
InChIKeyRMEJZDXNPJNPSY-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.19
Rot. Bonds4

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone (PubChem CID 3193777) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
PubChem CID3193777
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
SMILESCc1ccccc1-n1ncc2c(SCC(=O)N3c4ccccc4CC3C)ncnc21
InChIInChI=1S/C23H21N5OS/c1-15-7-3-5-9-19(15)28-22-18(12-26-28)23(25-14-24-22)30-13-21(29)27-16(2)11-17-8-4-6-10-20(17)27/h3-10,12,14,16H,11,13H2,1-2H3
InChIKeyRMEJZDXNPJNPSY-UHFFFAOYSA-N
XLogP4.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone (CID 3193777) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone is Cc1ccccc1-n1ncc2c(SCC(=O)N3c4ccccc4CC3C)ncnc21.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone?
The InChIKey is RMEJZDXNPJNPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-15-7-3-5-9-19(15)28-22-18(12-26-28)23(25-14-24-22)30-13-21(29)27-16(2)11-17-8-4-6-10-20(17)27/h3-10,12,14,16H,11,13H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone has a molecular weight of 415.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone is sourced from PubChem (CID 3193777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).