7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine

C26H28N6O3S — CID 56592327

IUPAC7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine
SMILESCCc1cnc(N2CCC(c3coc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1
InChIInChI=1S/C26H28N6O3S/c1-3-17-13-27-26(28-14-17)31-9-6-18(7-10-31)21-15-35-24-23(21)29-16-30-25(24)32-11-8-19-12-20(36(2,33)34)4-5-22(19)32/h4-5,12-16,18H,3,6-11H2,1-2H3
InChIKeyQATNTHPMWZMNEX-UHFFFAOYSA-N
MW504.62 g/mol
LogP4.06
Rot. Bonds5

About 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine

7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine (PubChem CID 56592327) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine
PubChem CID56592327
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC Name7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine
SMILESCCc1cnc(N2CCC(c3coc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1
InChIInChI=1S/C26H28N6O3S/c1-3-17-13-27-26(28-14-17)31-9-6-18(7-10-31)21-15-35-24-23(21)29-16-30-25(24)32-11-8-19-12-20(36(2,33)34)4-5-22(19)32/h4-5,12-16,18H,3,6-11H2,1-2H3
InChIKeyQATNTHPMWZMNEX-UHFFFAOYSA-N
XLogP4.06
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine?
The IUPAC name of 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine (CID 56592327) is 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine?
The canonical SMILES for 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine is CCc1cnc(N2CCC(c3coc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1.
What is the InChIKey of 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine?
The InChIKey is QATNTHPMWZMNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-3-17-13-27-26(28-14-17)31-9-6-18(7-10-31)21-15-35-24-23(21)29-16-30-25(24)32-11-8-19-12-20(36(2,33)34)4-5-22(19)32/h4-5,12-16,18H,3,6-11H2,1-2H3.
What are the key properties of 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine?
7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine has a molecular weight of 504.62 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 56592327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).