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

C24H26ClN5O — CID 175822844

IUPAC(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1cc(OC)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c1Cl
InChIInChI=1S/C24H26ClN5O/c1-15(19-7-10-27-29-19)18-13-20(31-2)28-23(21(18)25)30-11-8-24(9-12-30)14-16-5-3-4-6-17(16)22(24)26/h3-7,10,13,22H,1,8-9,11-12,14,26H2,2H3,(H,27,29)/t22-/m1/s1
InChIKeyQFFJNJONRXFDGF-JOCHJYFZSA-N
MW435.96 g/mol
LogP4.37
Rot. Bonds4

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

(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822844) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822844
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1cc(OC)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c1Cl
InChIInChI=1S/C24H26ClN5O/c1-15(19-7-10-27-29-19)18-13-20(31-2)28-23(21(18)25)30-11-8-24(9-12-30)14-16-5-3-4-6-17(16)22(24)26/h3-7,10,13,22H,1,8-9,11-12,14,26H2,2H3,(H,27,29)/t22-/m1/s1
InChIKeyQFFJNJONRXFDGF-JOCHJYFZSA-N
XLogP4.37
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822805
(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822870
1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822920
(3S)-6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-chloro-1-methyl-3-[1-(1H-pyrazol-5-yl)ethenyl]-3H-pyridin-2-one
CID 175822895
methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
CID 155774294
(1S)-1'-[3-[1-(2,6-dimethoxyphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 172853248
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[4,5-b]pyrazin-5-yl]methyl acetate
CID 139512008
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(3-hydroxy-2-methoxyphenyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166823449
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
CID 175822850
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol
CID 155401093

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822844) is (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(c1ccn[nH]1)c1cc(OC)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c1Cl.
What is the InChIKey of (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is QFFJNJONRXFDGF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-15(19-7-10-27-29-19)18-13-20(31-2)28-23(21(18)25)30-11-8-24(9-12-30)14-16-5-3-4-6-17(16)22(24)26/h3-7,10,13,22H,1,8-9,11-12,14,26H2,2H3,(H,27,29)/t22-/m1/s1.
What are the key properties of (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 435.96 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).