[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol

C24H22N4O3S — CID 163565010

IUPAC[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol
SMILESCOc1cc(-c2ccnc3cc(-c4cn(CO)c5ccccc45)nn23)cc(SC)c1OC
InChIInChI=1S/C24H22N4O3S/c1-30-21-10-15(11-22(32-3)24(21)31-2)19-8-9-25-23-12-18(26-28(19)23)17-13-27(14-29)20-7-5-4-6-16(17)20/h4-13,29H,14H2,1-3H3
InChIKeyFULNHJMIORKZMQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.71
Rot. Bonds6

About [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol

[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol (PubChem CID 163565010) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol.

Molecular Properties

Compound Name[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol
PubChem CID163565010
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol
SMILESCOc1cc(-c2ccnc3cc(-c4cn(CO)c5ccccc45)nn23)cc(SC)c1OC
InChIInChI=1S/C24H22N4O3S/c1-30-21-10-15(11-22(32-3)24(21)31-2)19-8-9-25-23-12-18(26-28(19)23)17-13-27(14-29)20-7-5-4-6-16(17)20/h4-13,29H,14H2,1-3H3
InChIKeyFULNHJMIORKZMQ-UHFFFAOYSA-N
XLogP4.71
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol?
The IUPAC name of [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol (CID 163565010) is [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol.
What is the SMILES notation for [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol?
The canonical SMILES for [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol is COc1cc(-c2ccnc3cc(-c4cn(CO)c5ccccc45)nn23)cc(SC)c1OC.
What is the InChIKey of [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol?
The InChIKey is FULNHJMIORKZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-30-21-10-15(11-22(32-3)24(21)31-2)19-8-9-25-23-12-18(26-28(19)23)17-13-27(14-29)20-7-5-4-6-16(17)20/h4-13,29H,14H2,1-3H3.
What are the key properties of [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol?
[3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol has a molecular weight of 446.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(3,4-dimethoxy-5-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]indol-1-yl]methanol is sourced from PubChem (CID 163565010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).