(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H23Cl2N5S — CID 146466979

IUPAC(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C25H23Cl2N5S/c26-18-6-3-7-19(21(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)14-16-4-1-2-5-17(16)22(25)28/h1-7,10,13,15,22H,8-9,11-12,14,28H2/t22-/m1/s1
InChIKeyYLRRXVYTXNCFJX-JOCHJYFZSA-N
MW496.47 g/mol
LogP6.03
Rot. Bonds3

About (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466979) has the molecular formula C25H23Cl2N5S and a molecular weight of 496.47 g/mol. Its IUPAC name is (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466979
Molecular FormulaC25H23Cl2N5S
Molecular Weight496.47 g/mol
Exact Mass495.11
IUPAC Name(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C25H23Cl2N5S/c26-18-6-3-7-19(21(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)14-16-4-1-2-5-17(16)22(25)28/h1-7,10,13,15,22H,8-9,11-12,14,28H2/t22-/m1/s1
InChIKeyYLRRXVYTXNCFJX-JOCHJYFZSA-N
XLogP6.03
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.47
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047994
6-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-7-chloro-3a,7a-dihydro-3H-1,3-benzoxazol-2-one
CID 167294996
(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-deuteriospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008435
(4R)-8-[8-(2,6-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427633
(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-N,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158134535
3-[(3S)-3-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynamide
CID 171454612
8-[8-(2-chlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427572
[1-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155408714
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
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
(NZ,R)-N-[1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-indene-2,4'-piperidine]-1-ylidene]-2-methylpropane-2-sulfinamide
CID 146482527
[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-7-yl]methanol
CID 147261923

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466979) is (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is YLRRXVYTXNCFJX-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23Cl2N5S/c26-18-6-3-7-19(21(18)27)33-20-15-30-24(32-13-10-29-23(20)32)31-11-8-25(9-12-31)14-16-4-1-2-5-17(16)22(25)28/h1-7,10,13,15,22H,8-9,11-12,14,28H2/t22-/m1/s1.
What are the key properties of (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 496.47 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).