[1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate

C24H29Cl2N5O2S — CID 156902394

IUPAC[1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate
SMILESCc1nc(N2CCC(C)(OC(=O)NC(C)(C)C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C24H29Cl2N5O2S/c1-15-19(34-17-8-6-7-16(25)18(17)26)20-27-11-14-31(20)21(28-15)30-12-9-24(5,10-13-30)33-22(32)29-23(2,3)4/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,29,32)
InChIKeyHGNOEMBYXZUMNB-UHFFFAOYSA-N
MW522.50 g/mol
LogP6.38
Rot. Bonds4

About [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate

[1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate (PubChem CID 156902394) has the molecular formula C24H29Cl2N5O2S and a molecular weight of 522.50 g/mol. Its IUPAC name is [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate
PubChem CID156902394
Molecular FormulaC24H29Cl2N5O2S
Molecular Weight522.50 g/mol
Exact Mass521.14
IUPAC Name[1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate
SMILESCc1nc(N2CCC(C)(OC(=O)NC(C)(C)C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C24H29Cl2N5O2S/c1-15-19(34-17-8-6-7-16(25)18(17)26)20-27-11-14-31(20)21(28-15)30-12-9-24(5,10-13-30)33-22(32)29-23(2,3)4/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,29,32)
InChIKeyHGNOEMBYXZUMNB-UHFFFAOYSA-N
XLogP6.38
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.50
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155408714
tert-butyl N-[(4R)-8-[7-chloro-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146535877
(1S)-1'-[8-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[(2-amino-3-methyl-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-[[3-chloro-2-(methylamino)-4-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 165063040
(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 156704430
5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
CID 164743766
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
(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743746
(4R)-2,2-difluoro-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 164743590
1-[8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-ol
CID 155447864
1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-amine
CID 164743576
tert-butyl N-[1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]-N-methylcarbamate
CID 134183133
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-[2-methyl-2-[(S)-methylsulfinyl]propyl]-8-azaspiro[4.5]decane
CID 139427855

Frequently Asked Questions

What is the IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate (CID 156902394) is [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate is Cc1nc(N2CCC(C)(OC(=O)NC(C)(C)C)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl.
What is the InChIKey of [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is HGNOEMBYXZUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O2S/c1-15-19(34-17-8-6-7-16(25)18(17)26)20-27-11-14-31(20)21(28-15)30-12-9-24(5,10-13-30)33-22(32)29-23(2,3)4/h6-8,11,14H,9-10,12-13H2,1-5H3,(H,29,32).
What are the key properties of [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate?
[1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 522.50 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[8-(2,3-dichlorophenyl)sulfanyl-7-methylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 156902394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).