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

C24H29BrFN5OS — CID 146482625

IUPAC(R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
SMILESCc1nc(N2CCC3(Cc4ccc(F)cc4C3)C(N[S@](=O)C(C)(C)C)C2)n2ccnc2c1Br
InChIInChI=1S/C24H29BrFN5OS/c1-15-20(25)21-27-8-10-31(21)22(28-15)30-9-7-24(19(14-30)29-33(32)23(2,3)4)12-16-5-6-18(26)11-17(16)13-24/h5-6,8,10-11,19,29H,7,9,12-14H2,1-4H3/t19?,24?,33-/m1/s1
InChIKeyOHYCRHNJWOKOKA-YDXPQBQBSA-N
MW534.50 g/mol
LogP4.36
Rot. Bonds3

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

(R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146482625) has the molecular formula C24H29BrFN5OS and a molecular weight of 534.50 g/mol. Its IUPAC name is (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
PubChem CID146482625
Molecular FormulaC24H29BrFN5OS
Molecular Weight534.50 g/mol
Exact Mass533.13
IUPAC Name(R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
SMILESCc1nc(N2CCC3(Cc4ccc(F)cc4C3)C(N[S@](=O)C(C)(C)C)C2)n2ccnc2c1Br
InChIInChI=1S/C24H29BrFN5OS/c1-15-20(25)21-27-8-10-31(21)22(28-15)30-9-7-24(19(14-30)29-33(32)23(2,3)4)12-16-5-6-18(26)11-17(16)13-24/h5-6,8,10-11,19,29H,7,9,12-14H2,1-4H3/t19?,24?,33-/m1/s1
InChIKeyOHYCRHNJWOKOKA-YDXPQBQBSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
Cyclopentyl{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746386
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
N-Butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 10114423
5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745697
N-Cyclopentyl-4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 9969570
N-Cyclopentyl-4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10178283
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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide (CID 146482625) is (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide is Cc1nc(N2CCC3(Cc4ccc(F)cc4C3)C(N[S@](=O)C(C)(C)C)C2)n2ccnc2c1Br.
What is the InChIKey of (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is OHYCRHNJWOKOKA-YDXPQBQBSA-N. The full InChI is InChI=1S/C24H29BrFN5OS/c1-15-20(25)21-27-8-10-31(21)22(28-15)30-9-7-24(19(14-30)29-33(32)23(2,3)4)12-16-5-6-18(26)11-17(16)13-24/h5-6,8,10-11,19,29H,7,9,12-14H2,1-4H3/t19?,24?,33-/m1/s1.
What are the key properties of (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 534.50 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1'-(8-bromo-7-methylimidazo[1,2-c]pyrimidin-5-yl)-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146482625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).