2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C24H28N6O4S — CID 24996386

IUPAC2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CC1
InChIInChI=1S/C24H28N6O4S/c1-35(31,32)30-9-7-28(8-10-30)16-17-15-21-22(34-17)24(29-11-13-33-14-12-29)27-23(26-21)19-3-2-4-20-18(19)5-6-25-20/h2-6,15,25H,7-14,16H2,1H3
InChIKeyXPPPRGRKHWMZJC-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.28
Rot. Bonds5

About 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine

2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 24996386) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID24996386
Molecular FormulaC24H28N6O4S
Molecular Weight496.59 g/mol
Exact Mass496.19
IUPAC Name2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESCS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CC1
InChIInChI=1S/C24H28N6O4S/c1-35(31,32)30-9-7-28(8-10-30)16-17-15-21-22(34-17)24(29-11-13-33-14-12-29)27-23(26-21)19-3-2-4-20-18(19)5-6-25-20/h2-6,15,25H,7-14,16H2,1H3
InChIKeyXPPPRGRKHWMZJC-UHFFFAOYSA-N
XLogP2.28
TPSA107.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 24996386) is 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine is CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CC1.
What is the InChIKey of 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is XPPPRGRKHWMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-35(31,32)30-9-7-28(8-10-30)16-17-15-21-22(34-17)24(29-11-13-33-14-12-29)27-23(26-21)19-3-2-4-20-18(19)5-6-25-20/h2-6,15,25H,7-14,16H2,1H3.
What are the key properties of 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 496.59 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 24996386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).