(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C24H22F2N6 — CID 168943913

IUPAC(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ncc(-c3cccc(F)c3F)n3nccc13)CC2
InChIInChI=1S/C24H22F2N6/c25-17-5-1-3-16(21(17)26)20-14-29-23(19-6-10-30-32(19)20)31-11-7-24(8-12-31)13-18-15(22(24)27)4-2-9-28-18/h1-6,9-10,14,22H,7-8,11-13,27H2/t22-/m1/s1
InChIKeyZFHPLAPLGMPUNF-JOCHJYFZSA-N
MW432.48 g/mol
LogP3.91
Rot. Bonds2

About (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 168943913) has the molecular formula C24H22F2N6 and a molecular weight of 432.48 g/mol. Its IUPAC name is (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID168943913
Molecular FormulaC24H22F2N6
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESN[C@@H]1c2cccnc2CC12CCN(c1ncc(-c3cccc(F)c3F)n3nccc13)CC2
InChIInChI=1S/C24H22F2N6/c25-17-5-1-3-16(21(17)26)20-14-29-23(19-6-10-30-32(19)20)31-11-7-24(8-12-31)13-18-15(22(24)27)4-2-9-28-18/h1-6,9-10,14,22H,7-8,11-13,27H2/t22-/m1/s1
InChIKeyZFHPLAPLGMPUNF-JOCHJYFZSA-N
XLogP3.91
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[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

(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
(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-(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
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
1'-[7-(2-chloro-3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]
CID 168944416
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401
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'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 168943913) is (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[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-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is N[C@@H]1c2cccnc2CC12CCN(c1ncc(-c3cccc(F)c3F)n3nccc13)CC2.
What is the InChIKey of (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is ZFHPLAPLGMPUNF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22F2N6/c25-17-5-1-3-16(21(17)26)20-14-29-23(19-6-10-30-32(19)20)31-11-7-24(8-12-31)13-18-15(22(24)27)4-2-9-28-18/h1-6,9-10,14,22H,7-8,11-13,27H2/t22-/m1/s1.
What are the key properties of (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 432.48 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 168943913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).