(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C24H27BrN6OS — CID 166070698

IUPAC(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(C#N)c3c(Br)c[nH]c3n1)CC2
InChIInChI=1S/C24H27BrN6OS/c1-23(2,3)33(32)30-20-16-7-5-4-6-15(16)12-24(20)8-10-31(11-9-24)22-28-18(13-26)19-17(25)14-27-21(19)29-22/h4-7,14,20,30H,8-12H2,1-3H3,(H,27,28,29)/t20-,33-/m1/s1
InChIKeyHNUIGCPMJIPCLO-OGPYBGEISA-N
MW527.49 g/mol
LogP4.53
Rot. Bonds3

About (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 166070698) has the molecular formula C24H27BrN6OS and a molecular weight of 527.49 g/mol. Its IUPAC name is (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID166070698
Molecular FormulaC24H27BrN6OS
Molecular Weight527.49 g/mol
Exact Mass526.12
IUPAC Name(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(C#N)c3c(Br)c[nH]c3n1)CC2
InChIInChI=1S/C24H27BrN6OS/c1-23(2,3)33(32)30-20-16-7-5-4-6-15(16)12-24(20)8-10-31(11-9-24)22-28-18(13-26)19-17(25)14-27-21(19)29-22/h4-7,14,20,30H,8-12H2,1-3H3,(H,27,28,29)/t20-,33-/m1/s1
InChIKeyHNUIGCPMJIPCLO-OGPYBGEISA-N
XLogP4.53
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
CID 146485682
N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155038829
(R)-N-[(5S)-1'-[4-amino-6-cyano-5-(2,3-dichlorophenyl)pyrimidin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 162434355
N-[(1S)-1'-(5-ethynyl-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 166823765
(R)-N-[(1S)-1'-(6-chloro-5-isocyanopyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 162501224
(R)-N-[(1S)-1'-[6-amino-5-(hydroxymethyl)pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 169100642
tert-butyl-[[(1S)-1'-[4-cyano-3-(3,4-dichloro-2-methylindazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]amino]-oxidosulfanium
CID 175804904
N-[(1S)-1'-[3-(hydroxymethyl)-5-[2-(1-methylimidazol-4-yl)ethynyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 166673737
(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170683025
tert-butyl (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 163922648
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylic acid
CID 155164088

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 166070698) is (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H]1c2ccccc2CC12CCN(c1nc(C#N)c3c(Br)c[nH]c3n1)CC2.
What is the InChIKey of (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is HNUIGCPMJIPCLO-OGPYBGEISA-N. The full InChI is InChI=1S/C24H27BrN6OS/c1-23(2,3)33(32)30-20-16-7-5-4-6-15(16)12-24(20)8-10-31(11-9-24)22-28-18(13-26)19-17(25)14-27-21(19)29-22/h4-7,14,20,30H,8-12H2,1-3H3,(H,27,28,29)/t20-,33-/m1/s1.
What are the key properties of (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 527.49 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1'-(5-bromo-4-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166070698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).