(R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

C22H27BrN6OS — CID 146482722

IUPAC(R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1c2cccnc2CC12CCN(c1ncc(Br)c3nccn13)CC2
InChIInChI=1S/C22H27BrN6OS/c1-21(2,3)31(30)27-18-15-5-4-8-24-17(15)13-22(18)6-10-28(11-7-22)20-26-14-16(23)19-25-9-12-29(19)20/h4-5,8-9,12,14,18,27H,6-7,10-11,13H2,1-3H3/t18-,31+/m0/s1
InChIKeyNIQSZXGVCFHWHL-FZEVHQGJSA-N
MW503.47 g/mol
LogP3.82
Rot. Bonds3

About (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146482722) has the molecular formula C22H27BrN6OS and a molecular weight of 503.47 g/mol. Its IUPAC name is (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
PubChem CID146482722
Molecular FormulaC22H27BrN6OS
Molecular Weight503.47 g/mol
Exact Mass502.12
IUPAC Name(R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1c2cccnc2CC12CCN(c1ncc(Br)c3nccn13)CC2
InChIInChI=1S/C22H27BrN6OS/c1-21(2,3)31(30)27-18-15-5-4-8-24-17(15)13-22(18)6-10-28(11-7-22)20-26-14-16(23)19-25-9-12-29(19)20/h4-5,8-9,12,14,18,27H,6-7,10-11,13H2,1-3H3/t18-,31+/m0/s1
InChIKeyNIQSZXGVCFHWHL-FZEVHQGJSA-N
XLogP3.82
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

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
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)-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
3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-propylsulfonylpiperidin-3-yl]pyridin-2-amine
CID 58177366
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)pyridin-2-amine
CID 58177399
3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine
CID 164614753
3-(5-methylpyrrolo[2,3-b]pyrazin-3-yl)-N-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridin-2-amine
CID 58177380

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (CID 146482722) is (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H]1c2cccnc2CC12CCN(c1ncc(Br)c3nccn13)CC2.
What is the InChIKey of (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is NIQSZXGVCFHWHL-FZEVHQGJSA-N. The full InChI is InChI=1S/C22H27BrN6OS/c1-21(2,3)31(30)27-18-15-5-4-8-24-17(15)13-22(18)6-10-28(11-7-22)20-26-14-16(23)19-25-9-12-29(19)20/h4-5,8-9,12,14,18,27H,6-7,10-11,13H2,1-3H3/t18-,31+/m0/s1.
What are the key properties of (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 503.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(5R)-1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).