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

C19H20FN5OS — CID 155505914

IUPAC1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCn1ccnc1-c1cc2c(s1)C1(CCN(c3ncc(F)cn3)CC1)OCC2
InChIInChI=1S/C19H20FN5OS/c1-24-8-5-21-17(24)15-10-13-2-9-26-19(16(13)27-15)3-6-25(7-4-19)18-22-11-14(20)12-23-18/h5,8,10-12H,2-4,6-7,9H2,1H3
InChIKeyZJOJWEVOEABUFH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.15
Rot. Bonds2

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

1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 155505914) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID155505914
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCn1ccnc1-c1cc2c(s1)C1(CCN(c3ncc(F)cn3)CC1)OCC2
InChIInChI=1S/C19H20FN5OS/c1-24-8-5-21-17(24)15-10-13-2-9-26-19(16(13)27-15)3-6-25(7-4-19)18-22-11-14(20)12-23-18/h5,8,10-12H,2-4,6-7,9H2,1H3
InChIKeyZJOJWEVOEABUFH-UHFFFAOYSA-N
XLogP3.15
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1'-[[2,5-Dimethyl-1-(2-pyridyl)pyrrol-3-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145980714
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
2-Fluoro-1'-[[1-(3-fluoro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 58268595
2-Fluoro-1'-[[5-methyl-2-[3-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]-3,4-dihydropyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 68340349
2-chloro-4,4-difluoro-1'-[[2-[3-(imidazol-1-ylmethyl)-2-pyridinyl]-5-methyl-3,4-dihydropyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 68340350
2-Fluoro-1'-[[5-methyl-2-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]-3,4-dihydropyrazol-4-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 68340673
2-chloro-4,4-difluoro-1'-[[5-methyl-2-[3-[(2-methylimidazol-1-yl)methyl]-2-pyridinyl]-3,4-dihydropyrazol-4-yl]methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 68340675
2-[[2-[4-[(2-Fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]-methylamino]acetonitrile
CID 87294280
2-Methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 156233115
2-(2,2-Difluoroethyl)-1'-(pyrimidin-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138707
(2'S,7R)-2-(2,2-difluoroethyl)-2'-methyl-1'-(pyrimidin-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140177

Frequently Asked Questions

What is the IUPAC name of 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 155505914) is 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cn1ccnc1-c1cc2c(s1)C1(CCN(c3ncc(F)cn3)CC1)OCC2.
What is the InChIKey of 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is ZJOJWEVOEABUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-24-8-5-21-17(24)15-10-13-2-9-26-19(16(13)27-15)3-6-25(7-4-19)18-22-11-14(20)12-23-18/h5,8,10-12H,2-4,6-7,9H2,1H3.
What are the key properties of 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 385.47 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-fluoropyrimidin-2-yl)-2-(1-methylimidazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 155505914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).