1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide

C25H24FN5O2S — CID 92899231

IUPAC1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1)c1cccnc1
InChIInChI=1S/C25H24FN5O2S/c1-16(18-3-2-11-27-15-18)28-23(32)17-8-12-30(13-9-17)25-29-21-10-14-34-22(21)24(33)31(25)20-6-4-19(26)5-7-20/h2-7,10-11,14-17H,8-9,12-13H2,1H3,(H,28,32)/t16-/m1/s1
InChIKeyGZRUWBKEGUSTAR-MRXNPFEDSA-N
MW477.57 g/mol
LogP4.08
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide

1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide (PubChem CID 92899231) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide
PubChem CID92899231
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1)c1cccnc1
InChIInChI=1S/C25H24FN5O2S/c1-16(18-3-2-11-27-15-18)28-23(32)17-8-12-30(13-9-17)25-29-21-10-14-34-22(21)24(33)31(25)20-6-4-19(26)5-7-20/h2-7,10-11,14-17H,8-9,12-13H2,1H3,(H,28,32)/t16-/m1/s1
InChIKeyGZRUWBKEGUSTAR-MRXNPFEDSA-N
XLogP4.08
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 92899229
N-(3,4-difluorophenyl)-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843248
1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 2134842
N-[(4-methoxyphenyl)methyl]-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843225
N-[(3,4-dimethylphenyl)methyl]-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)piperidine-4-carboxamide
CID 50843123
3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 95063766
3-(4-methylphenyl)-4-oxo-N-(1-pyridin-3-ylethyl)-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052384
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 51091421
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide (CID 92899231) is 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)n2-c2ccc(F)cc2)CC1)c1cccnc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide?
The InChIKey is GZRUWBKEGUSTAR-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-16(18-3-2-11-27-15-18)28-23(32)17-8-12-30(13-9-17)25-29-21-10-14-34-22(21)24(33)31(25)20-6-4-19(26)5-7-20/h2-7,10-11,14-17H,8-9,12-13H2,1H3,(H,28,32)/t16-/m1/s1.
What are the key properties of 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide?
1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-[(1R)-1-pyridin-3-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 92899231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).