(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H23Cl2N5 — CID 169100536

IUPAC(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cc3nc(-c4cccc(Cl)c4Cl)cn3cn1)CC2
InChIInChI=1S/C25H23Cl2N5/c26-19-7-3-6-18(23(19)27)20-14-32-15-29-21(12-22(32)30-20)31-10-8-25(9-11-31)13-16-4-1-2-5-17(16)24(25)28/h1-7,12,14-15,24H,8-11,13,28H2/t24-/m1/s1
InChIKeyTVFZNSJZGWWFCW-XMMPIXPASA-N
MW464.40 g/mol
LogP5.55
Rot. Bonds2

About (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 169100536) has the molecular formula C25H23Cl2N5 and a molecular weight of 464.40 g/mol. Its IUPAC name is (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID169100536
Molecular FormulaC25H23Cl2N5
Molecular Weight464.40 g/mol
Exact Mass463.13
IUPAC Name(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cc3nc(-c4cccc(Cl)c4Cl)cn3cn1)CC2
InChIInChI=1S/C25H23Cl2N5/c26-19-7-3-6-18(23(19)27)20-14-32-15-29-21(12-22(32)30-20)31-10-8-25(9-11-31)13-16-4-1-2-5-17(16)24(25)28/h1-7,12,14-15,24H,8-11,13,28H2/t24-/m1/s1
InChIKeyTVFZNSJZGWWFCW-XMMPIXPASA-N
XLogP5.55
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107
(3-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744270
(4R)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine
CID 132167081
N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2-(3,4-dichlorophenyl)ethanamine
CID 142505373
(4R)-8-[5-(2,3-dichlorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-8-azaspiro[4.5]decan-4-amine
CID 153313142
N-Cyclopentyl-4-[6,8-dichloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10203733
N-benzyl-2-(3,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 4335872
4-(3-Benzylimidazo[1,2-a]pyridin-2-yl)-6-chloropyrimidin-2-amine
CID 168297989
(3-Chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo [1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
CID 66546138
N-{3-[2-(3-chloro-benzylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrazin-8-yl}-cyclohexane-1,4-diamine
CID 66546140
1-(3-chloro-phenyl)-N1-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-ethane-1,2-diamine
CID 66546336

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 169100536) is (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cc3nc(-c4cccc(Cl)c4Cl)cn3cn1)CC2.
What is the InChIKey of (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is TVFZNSJZGWWFCW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23Cl2N5/c26-19-7-3-6-18(23(19)27)20-14-32-15-29-21(12-22(32)30-20)31-10-8-25(9-11-31)13-16-4-1-2-5-17(16)24(25)28/h1-7,12,14-15,24H,8-11,13,28H2/t24-/m1/s1.
What are the key properties of (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 464.40 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 169100536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).