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

C27H25N7S — CID 146466874

IUPAC(1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4cccnc34)c3nccn13)CC2
InChIInChI=1S/C27H25N7S/c28-24-19-5-2-1-4-18(19)16-27(24)8-13-33(14-9-27)26-32-17-22(25-31-12-15-34(25)26)35-21-7-11-29-20-6-3-10-30-23(20)21/h1-7,10-12,15,17,24H,8-9,13-14,16,28H2/t24-/m1/s1
InChIKeyKYLPUEIXQNBJRN-XMMPIXPASA-N
MW479.61 g/mol
LogP4.67
Rot. Bonds3

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

(1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466874) has the molecular formula C27H25N7S and a molecular weight of 479.61 g/mol. Its IUPAC name is (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146466874
Molecular FormulaC27H25N7S
Molecular Weight479.61 g/mol
Exact Mass479.19
IUPAC Name(1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4cccnc34)c3nccn13)CC2
InChIInChI=1S/C27H25N7S/c28-24-19-5-2-1-4-18(19)16-27(24)8-13-33(14-9-27)26-32-17-22(25-31-12-15-34(25)26)35-21-7-11-29-20-6-3-10-30-23(20)21/h1-7,10-12,15,17,24H,8-9,13-14,16,28H2/t24-/m1/s1
InChIKeyKYLPUEIXQNBJRN-XMMPIXPASA-N
XLogP4.67
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466874) is (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncc(Sc3ccnc4cccnc34)c3nccn13)CC2.
What is the InChIKey of (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is KYLPUEIXQNBJRN-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25N7S/c28-24-19-5-2-1-4-18(19)16-27(24)8-13-33(14-9-27)26-32-17-22(25-31-12-15-34(25)26)35-21-7-11-29-20-6-3-10-30-23(20)21/h1-7,10-12,15,17,24H,8-9,13-14,16,28H2/t24-/m1/s1.
What are the key properties of (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 479.61 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(1,5-naphthyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).