7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C26H32FN7O2S — CID 135390294

IUPAC7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccc(F)cc32)CC1
InChIInChI=1S/C26H32FN7O2S/c1-32-8-10-33(11-9-32)7-4-17-15-34(21-3-2-18(27)14-20(17)21)23-22-25(29-16-28-23)37-26(31-22)24(35)30-19-5-12-36-13-6-19/h2-3,14,16-17,19H,4-13,15H2,1H3,(H,30,35)
InChIKeyAFKXUTQVJQHJPF-UHFFFAOYSA-N
MW525.65 g/mol
LogP3.01
Rot. Bonds6

About 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390294) has the molecular formula C26H32FN7O2S and a molecular weight of 525.65 g/mol. Its IUPAC name is 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390294
Molecular FormulaC26H32FN7O2S
Molecular Weight525.65 g/mol
Exact Mass525.23
IUPAC Name7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccc(F)cc32)CC1
InChIInChI=1S/C26H32FN7O2S/c1-32-8-10-33(11-9-32)7-4-17-15-34(21-3-2-18(27)14-20(17)21)23-22-25(29-16-28-23)37-26(31-22)24(35)30-19-5-12-36-13-6-19/h2-3,14,16-17,19H,4-13,15H2,1H3,(H,30,35)
InChIKeyAFKXUTQVJQHJPF-UHFFFAOYSA-N
XLogP3.01
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390294) is 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN1CCN(CCC2CN(c3ncnc4sc(C(=O)NC5CCOCC5)nc34)c3ccc(F)cc32)CC1.
What is the InChIKey of 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is AFKXUTQVJQHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2S/c1-32-8-10-33(11-9-32)7-4-17-15-34(21-3-2-18(27)14-20(17)21)23-22-25(29-16-28-23)37-26(31-22)24(35)30-19-5-12-36-13-6-19/h2-3,14,16-17,19H,4-13,15H2,1H3,(H,30,35).
What are the key properties of 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).