1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C24H28FN5O3S — CID 135631056

IUPAC1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1
InChIInChI=1S/C24H28FN5O3S/c25-19-4-2-1-3-17(19)18-15-34-21-20(18)27-24(28-23(21)32)30-8-5-16(6-9-30)22(31)26-7-10-29-11-13-33-14-12-29/h1-4,15-16H,5-14H2,(H,26,31)(H,27,28,32)
InChIKeySYSGDGRAQKPLCR-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.46
Rot. Bonds6

About 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 135631056) has the molecular formula C24H28FN5O3S and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID135631056
Molecular FormulaC24H28FN5O3S
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1
InChIInChI=1S/C24H28FN5O3S/c25-19-4-2-1-3-17(19)18-15-34-21-20(18)27-24(28-23(21)32)30-8-5-16(6-9-30)22(31)26-7-10-29-11-13-33-14-12-29/h1-4,15-16H,5-14H2,(H,26,31)(H,27,28,32)
InChIKeySYSGDGRAQKPLCR-UHFFFAOYSA-N
XLogP2.46
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 135631022
1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 135631049
N-[(4-fluorophenyl)methyl]-1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 135631036
1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 135631034
1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 136865146
(3S)-1-(4-oxo-7-phenyl-3H-thieno[3,2-d]pyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 136897031
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-oxo-7-phenyl-3H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide
CID 135631065
1-[7-(4-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide
CID 135631106
N-(2-morpholin-4-ylethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952050
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906813
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062561
(3S)-1-[7-(2-methylphenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 136897077

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 135631056) is 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1.
What is the InChIKey of 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is SYSGDGRAQKPLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3S/c25-19-4-2-1-3-17(19)18-15-34-21-20(18)27-24(28-23(21)32)30-8-5-16(6-9-30)22(31)26-7-10-29-11-13-33-14-12-29/h1-4,15-16H,5-14H2,(H,26,31)(H,27,28,32).
What are the key properties of 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-fluorophenyl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 135631056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).