2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C26H29FN6OS — CID 58268586

IUPAC2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1nn(-c2ncccc2Cn2ccnc2C)cc1CN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C26H29FN6OS/c1-18-22(15-31-10-6-26(7-11-31)24-20(5-13-34-26)14-23(27)35-24)17-33(30-18)25-21(4-3-8-29-25)16-32-12-9-28-19(32)2/h3-4,8-9,12,14,17H,5-7,10-11,13,15-16H2,1-2H3
InChIKeyREYOBJPPVHJNAQ-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.39
Rot. Bonds5

About 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 58268586) has the molecular formula C26H29FN6OS and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID58268586
Molecular FormulaC26H29FN6OS
Molecular Weight492.62 g/mol
Exact Mass492.21
IUPAC Name2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1nn(-c2ncccc2Cn2ccnc2C)cc1CN1CCC2(CC1)OCCc1cc(F)sc12
InChIInChI=1S/C26H29FN6OS/c1-18-22(15-31-10-6-26(7-11-31)24-20(5-13-34-26)14-23(27)35-24)17-33(30-18)25-21(4-3-8-29-25)16-32-12-9-28-19(32)2/h3-4,8-9,12,14,17H,5-7,10-11,13,15-16H2,1-2H3
InChIKeyREYOBJPPVHJNAQ-UHFFFAOYSA-N
XLogP4.39
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

2-chloro-4,4-difluoro-1'-[[1-[3-(1H-imidazol-2-yl)-2-pyridinyl]-3-methylpyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268566
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11419380
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11431027
4-[4-[5-[(1S)-1-(4-fluorophenyl)-1-methoxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032901
4-[4-[5-[(1R)-1-(4-fluorophenyl)-1-methoxyethyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032902
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 45160591
US9725449, Example 176
CID 122694867
1'-[[2,5-Dimethyl-1-(2-pyridyl)pyrrol-3-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145980714
5-[5-[(2S)-oxan-2-yl]thiophen-2-yl]-1-(pyridin-3-ylmethyl)-4H-imidazo[4,5-d]pyrazole
CID 135912646
2-chloro-4,4-difluoro-1'-[[1-[2-fluoro-6-(2-methylimidazol-1-yl)phenyl]-3-methylpyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 52914970

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 58268586) is 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cc1nn(-c2ncccc2Cn2ccnc2C)cc1CN1CCC2(CC1)OCCc1cc(F)sc12.
What is the InChIKey of 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is REYOBJPPVHJNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6OS/c1-18-22(15-31-10-6-26(7-11-31)24-20(5-13-34-26)14-23(27)35-24)17-33(30-18)25-21(4-3-8-29-25)16-32-12-9-28-19(32)2/h3-4,8-9,12,14,17H,5-7,10-11,13,15-16H2,1-2H3.
What are the key properties of 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 492.62 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1'-[[3-methyl-1-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]pyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 58268586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).