1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]

C26H25F2N5O — CID 168943952

IUPAC1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
SMILESCOc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3cccnc3C4)c3ccnn23)c(F)c1F
InChIInChI=1S/C26H25F2N5O/c1-16-24(18-5-6-21(34-2)23(28)22(18)27)33-20(7-11-30-33)25(31-16)32-12-8-26(9-13-32)14-17-4-3-10-29-19(17)15-26/h3-7,10-11H,8-9,12-15H2,1-2H3
InChIKeyBOJGPUDEMOFVIB-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.77
Rot. Bonds3

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

1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] (PubChem CID 168943952) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine].

Molecular Properties

Compound Name1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
PubChem CID168943952
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
SMILESCOc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3cccnc3C4)c3ccnn23)c(F)c1F
InChIInChI=1S/C26H25F2N5O/c1-16-24(18-5-6-21(34-2)23(28)22(18)27)33-20(7-11-30-33)25(31-16)32-12-8-26(9-13-32)14-17-4-3-10-29-19(17)15-26/h3-7,10-11H,8-9,12-15H2,1-2H3
InChIKeyBOJGPUDEMOFVIB-UHFFFAOYSA-N
XLogP4.77
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] with MolForge

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Related Compounds

1'-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168944053
2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile
CID 168944276
1'-[7-(2-chlorothiophen-3-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 170101323
1'-[7-(3-fluoro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine];hydrochloride
CID 168944115
1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
CID 168944224
[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
CID 168944229
1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168943979
(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
(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
8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-8-azaspiro[4.5]decane;ethane;methanethiol
CID 142403897
(3S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 170128548
(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 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The IUPAC name of 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] (CID 168943952) is 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine].
What is the SMILES notation for 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The canonical SMILES for 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] is COc1ccc(-c2c(C)nc(N3CCC4(CC3)Cc3cccnc3C4)c3ccnn23)c(F)c1F.
What is the InChIKey of 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
The InChIKey is BOJGPUDEMOFVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-16-24(18-5-6-21(34-2)23(28)22(18)27)33-20(7-11-30-33)25(31-16)32-12-8-26(9-13-32)14-17-4-3-10-29-19(17)15-26/h3-7,10-11H,8-9,12-15H2,1-2H3.
What are the key properties of 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]?
1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] has a molecular weight of 461.52 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine] is sourced from PubChem (CID 168943952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).