(1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C24H24F2N4 — CID 175822836

IUPAC(1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1c(F)ccc(F)c1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H24F2N4/c1-15(20-8-11-28-29-20)21-18(25)6-7-19(26)22(21)30-12-9-24(10-13-30)14-16-4-2-3-5-17(16)23(24)27/h2-8,11,23H,1,9-10,12-14,27H2,(H,28,29)/t23-/m1/s1
InChIKeyKCAYGIAQCAQWEI-HSZRJFAPSA-N
MW406.48 g/mol
LogP4.59
Rot. Bonds3

About (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822836) has the molecular formula C24H24F2N4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822836
Molecular FormulaC24H24F2N4
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC Name(1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1c(F)ccc(F)c1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H24F2N4/c1-15(20-8-11-28-29-20)21-18(25)6-7-19(26)22(21)30-12-9-24(10-13-30)14-16-4-2-3-5-17(16)23(24)27/h2-8,11,23H,1,9-10,12-14,27H2,(H,28,29)/t23-/m1/s1
InChIKeyKCAYGIAQCAQWEI-HSZRJFAPSA-N
XLogP4.59
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822836) is (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(c1ccn[nH]1)c1c(F)ccc(F)c1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is KCAYGIAQCAQWEI-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24F2N4/c1-15(20-8-11-28-29-20)21-18(25)6-7-19(26)22(21)30-12-9-24(10-13-30)14-16-4-2-3-5-17(16)23(24)27/h2-8,11,23H,1,9-10,12-14,27H2,(H,28,29)/t23-/m1/s1.
What are the key properties of (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 406.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[3,6-difluoro-2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).