3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide

C21H26FN7O4S — CID 142140788

IUPAC3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESO=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCCC(=O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C21H26FN7O4S/c22-14-11-24-20(25-12-14)28-8-6-27(7-9-28)18(31)1-4-23-17(30)2-5-29-16-3-10-34-13-15(16)19(32)26-21(29)33/h11-12H,1-10,13H2,(H,23,30)(H,26,32,33)
InChIKeyKXABNPITTUKFIS-UHFFFAOYSA-N
MW491.55 g/mol
LogP-0.50
Rot. Bonds7

About 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide

3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide (PubChem CID 142140788) has the molecular formula C21H26FN7O4S and a molecular weight of 491.55 g/mol. Its IUPAC name is 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide
PubChem CID142140788
Molecular FormulaC21H26FN7O4S
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESO=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCCC(=O)N1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C21H26FN7O4S/c22-14-11-24-20(25-12-14)28-8-6-27(7-9-28)18(31)1-4-23-17(30)2-5-29-16-3-10-34-13-15(16)19(32)26-21(29)33/h11-12H,1-10,13H2,(H,23,30)(H,26,32,33)
InChIKeyKXABNPITTUKFIS-UHFFFAOYSA-N
XLogP-0.50
TPSA133.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide with MolForge

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Related Compounds

3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)-N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]propanamide
CID 58720685
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide
CID 58720764
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide
CID 58720712
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]propanamide
CID 58720734
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 6621015
3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 78889836
6,7-dimethoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 46506229
4-(5-fluoropyrimidin-2-yl)thiomorpholine
CID 119103581
N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119873292
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111307946
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
CID 119858817

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide (CID 142140788) is 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide is O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCCC(=O)N1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is KXABNPITTUKFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN7O4S/c22-14-11-24-20(25-12-14)28-8-6-27(7-9-28)18(31)1-4-23-17(30)2-5-29-16-3-10-34-13-15(16)19(32)26-21(29)33/h11-12H,1-10,13H2,(H,23,30)(H,26,32,33).
What are the key properties of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide?
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 491.55 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 142140788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).