7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C25H22FN5O2S — CID 67219898

IUPAC7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3c(ccn3S(=O)(=O)c3ccccc3F)c1)cn2C1CCCC1
InChIInChI=1S/C25H22FN5O2S/c26-20-7-3-4-8-22(20)34(32,33)31-12-11-17-13-16(9-10-21(17)31)19-14-30(18-5-1-2-6-18)25-23(19)24(27)28-15-29-25/h3-4,7-15,18H,1-2,5-6H2,(H2,27,28,29)
InChIKeyUMGXLTRDZDXNTM-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.13
Rot. Bonds4

About 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 67219898) has the molecular formula C25H22FN5O2S and a molecular weight of 475.55 g/mol. Its IUPAC name is 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID67219898
Molecular FormulaC25H22FN5O2S
Molecular Weight475.55 g/mol
Exact Mass475.15
IUPAC Name7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3c(ccn3S(=O)(=O)c3ccccc3F)c1)cn2C1CCCC1
InChIInChI=1S/C25H22FN5O2S/c26-20-7-3-4-8-22(20)34(32,33)31-12-11-17-13-16(9-10-21(17)31)19-14-30(18-5-1-2-6-18)25-23(19)24(27)28-15-29-25/h3-4,7-15,18H,1-2,5-6H2,(H2,27,28,29)
InChIKeyUMGXLTRDZDXNTM-UHFFFAOYSA-N
XLogP5.13
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 67219898) is 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3c(ccn3S(=O)(=O)c3ccccc3F)c1)cn2C1CCCC1.
What is the InChIKey of 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UMGXLTRDZDXNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2S/c26-20-7-3-4-8-22(20)34(32,33)31-12-11-17-13-16(9-10-21(17)31)19-14-30(18-5-1-2-6-18)25-23(19)24(27)28-15-29-25/h3-4,7-15,18H,1-2,5-6H2,(H2,27,28,29).
What are the key properties of 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 475.55 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67219898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).