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

C26H27FN6O — CID 168943937

IUPAC(5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1ccc(F)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
InChIInChI=1S/C26H27FN6O/c1-16-23(19-14-17(34-2)5-6-20(19)27)33-22(7-11-30-33)25(31-16)32-12-8-26(9-13-32)15-21-18(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
InChIKeyJSKFIOHSYJWZJA-XMMPIXPASA-N
MW458.54 g/mol
LogP4.09
Rot. Bonds3

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

(5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 168943937) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is (5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-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-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID168943937
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name(5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCOc1ccc(F)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1
InChIInChI=1S/C26H27FN6O/c1-16-23(19-14-17(34-2)5-6-20(19)27)33-22(7-11-30-33)25(31-16)32-12-8-26(9-13-32)15-21-18(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
InChIKeyJSKFIOHSYJWZJA-XMMPIXPASA-N
XLogP4.09
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
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

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-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-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 168943937) is (5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-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-5-methoxyphenyl)-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-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is COc1ccc(F)c(-c2c(C)nc(N3CCC4(CC3)Cc3ncccc3[C@H]4N)c3ccnn23)c1.
What is the InChIKey of (5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is JSKFIOHSYJWZJA-XMMPIXPASA-N. The full InChI is InChI=1S/C26H27FN6O/c1-16-23(19-14-17(34-2)5-6-20(19)27)33-22(7-11-30-33)25(31-16)32-12-8-26(9-13-32)15-21-18(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-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[7-(2-fluoro-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 458.54 g/mol, XLogP of 4.09, 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-5-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 168943937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).