(R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C24H29BrFN5OS — CID 153474486

IUPAC(R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N[S@](=O)C(C)(C)C)n2ccnc2c1Br
InChIInChI=1S/C24H29BrFN5OS/c1-15-19(25)21-27-9-12-31(21)22(28-15)30-10-7-24(8-11-30)14-16-13-17(26)5-6-18(16)20(24)29-33(32)23(2,3)4/h5-6,9,12-13,20,29H,7-8,10-11,14H2,1-4H3/t20-,33-/m1/s1
InChIKeyHMWAIVQFIADVNF-OGPYBGEISA-N
MW534.50 g/mol
LogP4.88
Rot. Bonds3

About (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 153474486) has the molecular formula C24H29BrFN5OS and a molecular weight of 534.50 g/mol. Its IUPAC name is (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID153474486
Molecular FormulaC24H29BrFN5OS
Molecular Weight534.50 g/mol
Exact Mass533.13
IUPAC Name(R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N[S@](=O)C(C)(C)C)n2ccnc2c1Br
InChIInChI=1S/C24H29BrFN5OS/c1-15-19(25)21-27-9-12-31(21)22(28-15)30-10-7-24(8-11-30)14-16-13-17(26)5-6-18(16)20(24)29-33(32)23(2,3)4/h5-6,9,12-13,20,29H,7-8,10-11,14H2,1-4H3/t20-,33-/m1/s1
InChIKeyHMWAIVQFIADVNF-OGPYBGEISA-N
XLogP4.88
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-(2-Dimethylamino-1,1-dimethylethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 11741968
4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887414
N-Cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10165406
6-Bromo-N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 10229900
6-Bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 10302207
5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745697
4-[6-Bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10205198
4-[6-Bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 15954589
US11179397, Example 7
CID 146466986
US11179397, Example 5
CID 146466903
US11179397, Example 21
CID 146466937

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 153474486) is (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is Cc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N[S@](=O)C(C)(C)C)n2ccnc2c1Br.
What is the InChIKey of (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is HMWAIVQFIADVNF-OGPYBGEISA-N. The full InChI is InChI=1S/C24H29BrFN5OS/c1-15-19(25)21-27-9-12-31(21)22(28-15)30-10-7-24(8-11-30)14-16-13-17(26)5-6-18(16)20(24)29-33(32)23(2,3)4/h5-6,9,12-13,20,29H,7-8,10-11,14H2,1-4H3/t20-,33-/m1/s1.
What are the key properties of (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 534.50 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 153474486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).