(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide

C22H27BrN6OS — CID 146482878

IUPAC(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC1CN(c2ncc(Br)c3nccn23)CCC12Cc1cccnc1C2
InChIInChI=1S/C22H27BrN6OS/c1-21(2,3)31(30)27-18-14-28(20-26-13-16(23)19-25-8-10-29(19)20)9-6-22(18)11-15-5-4-7-24-17(15)12-22/h4-5,7-8,10,13,18,27H,6,9,11-12,14H2,1-3H3/t18?,22?,31-/m1/s1
InChIKeyXDCGQFWKBWZJBW-IEHKPUGWSA-N
MW503.47 g/mol
LogP3.30
Rot. Bonds3

About (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide

(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146482878) has the molecular formula C22H27BrN6OS and a molecular weight of 503.47 g/mol. Its IUPAC name is (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
PubChem CID146482878
Molecular FormulaC22H27BrN6OS
Molecular Weight503.47 g/mol
Exact Mass502.12
IUPAC Name(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC1CN(c2ncc(Br)c3nccn23)CCC12Cc1cccnc1C2
InChIInChI=1S/C22H27BrN6OS/c1-21(2,3)31(30)27-18-14-28(20-26-13-16(23)19-25-8-10-29(19)20)9-6-22(18)11-15-5-4-7-24-17(15)12-22/h4-5,7-8,10,13,18,27H,6,9,11-12,14H2,1-3H3/t18?,22?,31-/m1/s1
InChIKeyXDCGQFWKBWZJBW-IEHKPUGWSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 155184999
N-[(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 167295008
(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
CID 152808917
N-[(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 155408810
1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[3H-indene-2,4'-piperidine]-1-one
CID 146482643
8-bromo-5-(3-methylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine
CID 157322823
(4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine
CID 158169477
N-[(5S)-1'-(7-bromo-3-fluoro-6-methylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 174055634
N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 158373593
N-[(4R)-8-(8-iodo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 139427881
CID 157232971
CID 157232971
tert-butyl (5R)-5-[[(R)-tert-butylsulfinyl]amino]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146482780

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide (CID 146482878) is (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)NC1CN(c2ncc(Br)c3nccn23)CCC12Cc1cccnc1C2.
What is the InChIKey of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XDCGQFWKBWZJBW-IEHKPUGWSA-N. The full InChI is InChI=1S/C22H27BrN6OS/c1-21(2,3)31(30)27-18-14-28(20-26-13-16(23)19-25-8-10-29(19)20)9-6-22(18)11-15-5-4-7-24-17(15)12-22/h4-5,7-8,10,13,18,27H,6,9,11-12,14H2,1-3H3/t18?,22?,31-/m1/s1.
What are the key properties of (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 503.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1'-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-3'-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146482878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).