(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C26H27FN6 — CID 169450652

IUPAC(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)c1
InChIInChI=1S/C26H27FN6/c1-16-5-6-18(20(27)14-16)23-17(2)31-25(22-7-11-30-33(22)23)32-12-8-26(9-13-32)15-21-19(24(26)28)4-3-10-29-21/h3-7,10-11,14,24H,8-9,12-13,15,28H2,1-2H3/t24-/m1/s1
InChIKeyLHBBGNUOZGONQB-XMMPIXPASA-N
MW442.54 g/mol
LogP4.39
Rot. Bonds2

About (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 169450652) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID169450652
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)c1
InChIInChI=1S/C26H27FN6/c1-16-5-6-18(20(27)14-16)23-17(2)31-25(22-7-11-30-33(22)23)32-12-8-26(9-13-32)15-21-19(24(26)28)4-3-10-29-21/h3-7,10-11,14,24H,8-9,12-13,15,28H2,1-2H3/t24-/m1/s1
InChIKeyLHBBGNUOZGONQB-XMMPIXPASA-N
XLogP4.39
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Related Compounds

3-[4-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-1-methylpyridin-2-one
CID 168944147
(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
CID 169080051
(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'-(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'-[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'-[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
(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080155
(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 168944025
(5S)-3-methoxy-1'-(6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 168943903
(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
CID 168944329
(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080102
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 169450652) is (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c(F)c1.
What is the InChIKey of (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is LHBBGNUOZGONQB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27FN6/c1-16-5-6-18(20(27)14-16)23-17(2)31-25(22-7-11-30-33(22)23)32-12-8-26(9-13-32)15-21-19(24(26)28)4-3-10-29-21/h3-7,10-11,14,24H,8-9,12-13,15,28H2,1-2H3/t24-/m1/s1.
What are the key properties of (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 442.54 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 169450652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).