3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

C25H24ClFN6S — CID 147059870

IUPAC3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2c(CF)nc(N3CCC4(CC3)Cc3ccccc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C25H24ClFN6S/c26-20-19(5-8-29-22(20)28)34-21-18(15-27)31-24(33-12-9-30-23(21)33)32-10-6-25(7-11-32)13-16-3-1-2-4-17(16)14-25/h1-5,8-9,12H,6-7,10-11,13-15H2,(H2,28,29)
InChIKeyBCYSKICCNOMZDA-UHFFFAOYSA-N
MW495.03 g/mol
LogP5.37
Rot. Bonds4

About 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (PubChem CID 147059870) has the molecular formula C25H24ClFN6S and a molecular weight of 495.03 g/mol. Its IUPAC name is 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
PubChem CID147059870
Molecular FormulaC25H24ClFN6S
Molecular Weight495.03 g/mol
Exact Mass494.15
IUPAC Name3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2c(CF)nc(N3CCC4(CC3)Cc3ccccc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C25H24ClFN6S/c26-20-19(5-8-29-22(20)28)34-21-18(15-27)31-24(33-12-9-30-23(21)33)32-10-6-25(7-11-32)13-16-3-1-2-4-17(16)14-25/h1-5,8-9,12H,6-7,10-11,13-15H2,(H2,28,29)
InChIKeyBCYSKICCNOMZDA-UHFFFAOYSA-N
XLogP5.37
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (CID 147059870) is 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is Nc1nccc(Sc2c(CF)nc(N3CCC4(CC3)Cc3ccccc3C4)n3ccnc23)c1Cl.
What is the InChIKey of 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The InChIKey is BCYSKICCNOMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6S/c26-20-19(5-8-29-22(20)28)34-21-18(15-27)31-24(33-12-9-30-23(21)33)32-10-6-25(7-11-32)13-16-3-1-2-4-17(16)14-25/h1-5,8-9,12H,6-7,10-11,13-15H2,(H2,28,29).
What are the key properties of 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine has a molecular weight of 495.03 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[7-(fluoromethyl)-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 147059870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).