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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Related Compounds

N-(1-Isopropyl-3-(1-methylindolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-methyl-1H-pyrazole-3-sulfonamide
CID 71090129
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
JAK3 covalent inhibitor-1
CID 137321159
DC-BPi-11
CID 163410002
N-[2-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-3H-benzimidazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 11352718
N-[4-[(1R,5S)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-2-phenyl-butyl]benzenesulfonamide
CID 50943793
3-[1-(Benzenesulfonyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395300
1-(4-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469116
1-(2,5-Difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469117
1-(3,4-Difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469118
1-(3-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469381
1-(4-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469382

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).