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

C25H25FN6O — CID 169080082

IUPAC(5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1cccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F
InChIInChI=1S/C25H25FN6O/c1-33-21-6-2-4-17(22(21)26)20-15-29-24(19-7-11-30-32(19)20)31-12-8-25(9-13-31)14-18-16(23(25)27)5-3-10-28-18/h2-7,10-11,15,23H,8-9,12-14,27H2,1H3/t23-/m1/s1
InChIKeyAACZYRZEYFQQAL-HSZRJFAPSA-N
MW444.51 g/mol
LogP3.78
Rot. Bonds3

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

(5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 169080082) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)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-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID169080082
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name(5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1cccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F
InChIInChI=1S/C25H25FN6O/c1-33-21-6-2-4-17(22(21)26)20-15-29-24(19-7-11-30-32(19)20)31-12-8-25(9-13-31)14-18-16(23(25)27)5-3-10-28-18/h2-7,10-11,15,23H,8-9,12-14,27H2,1H3/t23-/m1/s1
InChIKeyAACZYRZEYFQQAL-HSZRJFAPSA-N
XLogP3.78
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)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

7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
Ker-047
CID 142464264
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390673
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
(E)-7-(3-Methoxyphenyl)-4-(2-(pyridin-4-ylmethylene)hydrazinyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 9604912
3-[2-(cyclopentylamino)-4-pyrimidinyl]-N-isopropyl-2-(4-methoxyphenyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10114289
N-Cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10139996
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
CID 10277876
N-Butyl-4-[2-(4-fluorophenyl)-7-methoxypyrazolo[1,5-a]pyridin-3-yl]-2-pyridinamine
CID 10293771
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(4-fluoro-3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879517

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)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-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 169080082) is (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)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-fluoro-3-methoxyphenyl)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-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is COc1cccc(-c2cnc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1F.
What is the InChIKey of (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is AACZYRZEYFQQAL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-33-21-6-2-4-17(22(21)26)20-15-29-24(19-7-11-30-32(19)20)31-12-8-25(9-13-31)14-18-16(23(25)27)5-3-10-28-18/h2-7,10-11,15,23H,8-9,12-14,27H2,1H3/t23-/m1/s1.
What are the key properties of (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 444.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[7-(2-fluoro-3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 169080082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).