(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C18H20BrN3 — CID 146538401

IUPAC(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ccc(Br)cc1)CC2
InChIInChI=1S/C18H20BrN3/c19-13-3-5-14(6-4-13)22-10-7-18(8-11-22)12-16-15(17(18)20)2-1-9-21-16/h1-6,9,17H,7-8,10-12,20H2/t17-/m1/s1
InChIKeyGLRMCCIZZHIWAG-QGZVFWFLSA-N
MW358.28 g/mol
LogP3.69
Rot. Bonds1

About (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 146538401) has the molecular formula C18H20BrN3 and a molecular weight of 358.28 g/mol. Its IUPAC name is (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID146538401
Molecular FormulaC18H20BrN3
Molecular Weight358.28 g/mol
Exact Mass357.08
IUPAC Name(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ccc(Br)cc1)CC2
InChIInChI=1S/C18H20BrN3/c19-13-3-5-14(6-4-13)22-10-7-18(8-11-22)12-16-15(17(18)20)2-1-9-21-16/h1-6,9,17H,7-8,10-12,20H2/t17-/m1/s1
InChIKeyGLRMCCIZZHIWAG-QGZVFWFLSA-N
XLogP3.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
CID 155165273
(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
CID 153482804
(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155385247
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
(5S)-1'-[6-methyl-7-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944288
(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168943913
(5S)-1'-(3-fluoro-6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944352
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol
CID 167301574
(5S)-1'-[3-(2-chloro-3-fluorophenyl)imidazo[1,5-a]pyrazin-8-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 156751740
(5S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944333

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 146538401) is (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is N[C@@H]1c2cccnc2CC12CCN(c1ccc(Br)cc1)CC2.
What is the InChIKey of (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is GLRMCCIZZHIWAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20BrN3/c19-13-3-5-14(6-4-13)22-10-7-18(8-11-22)12-16-15(17(18)20)2-1-9-21-16/h1-6,9,17H,7-8,10-12,20H2/t17-/m1/s1.
What are the key properties of (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 358.28 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146538401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).