N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C26H27FN4OS — CID 90360912

IUPACN-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC4(CCCc5ccccc54)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C26H27FN4OS/c27-19-7-3-8-20(17-19)28-24-23-22(10-16-33(23)32)29-25(30-24)31-14-12-26(13-15-31)11-4-6-18-5-1-2-9-21(18)26/h1-3,5,7-9,17H,4,6,10-16H2,(H,28,29,30)
InChIKeyCIUBIFYGEIVXHE-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.90
Rot. Bonds3

About N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 90360912) has the molecular formula C26H27FN4OS and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID90360912
Molecular FormulaC26H27FN4OS
Molecular Weight462.59 g/mol
Exact Mass462.19
IUPAC NameN-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC4(CCCc5ccccc54)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C26H27FN4OS/c27-19-7-3-8-20(17-19)28-24-23-22(10-16-33(23)32)29-25(30-24)31-14-12-26(13-15-31)11-4-6-18-5-1-2-9-21(18)26/h1-3,5,7-9,17H,4,6,10-16H2,(H,28,29,30)
InChIKeyCIUBIFYGEIVXHE-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[4-(3,5-dichlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 58123393
2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1'-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one;methane
CID 160702065
2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 162073680
2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane
CID 159404771
2-chloro-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;N-(3-fluorophenyl)-5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 159402640
2-[3-(4-bromo-N-ethylanilino)pyrrolidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 70794432
2-[3-[(4-chloro-3-methylphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 58154236
3-fluoro-N-[[2-[4-(3-fluorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]methyl]aniline
CID 143795810
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;N-(3-fluorophenyl)-5-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 77461271
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-oxo-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 176867577
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(3-chlorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 66736249
2-[4-(3-chlorophenyl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;1-[4-(3-fluoroanilino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-phenylpiperidine-4-carbonitrile;N-(3-fluorophenyl)-2-[4-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;methane;2-[4-(3-methylphenyl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 160768906

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 90360912) is N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC4(CCCc5ccccc54)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CIUBIFYGEIVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4OS/c27-19-7-3-8-20(17-19)28-24-23-22(10-16-33(23)32)29-25(30-24)31-14-12-26(13-15-31)11-4-6-18-5-1-2-9-21(18)26/h1-3,5,7-9,17H,4,6,10-16H2,(H,28,29,30).
What are the key properties of N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 462.59 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90360912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).