5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid

C18H14N6O5S — CID 135434666

IUPAC5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(NCc1cn2ccccc2n1)Nc1cscc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C18H14N6O5S/c25-14-13(17(27)28)22-15(23-16(14)26)10-7-30-8-11(10)21-18(29)19-5-9-6-24-4-2-1-3-12(24)20-9/h1-4,6-8,25H,5H2,(H,27,28)(H2,19,21,29)(H,22,23,26)
InChIKeyYNOADFBGVGEBLE-UHFFFAOYSA-N
MW426.41 g/mol
LogP1.87
Rot. Bonds5

About 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434666) has the molecular formula C18H14N6O5S and a molecular weight of 426.41 g/mol. Its IUPAC name is 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434666
Molecular FormulaC18H14N6O5S
Molecular Weight426.41 g/mol
Exact Mass426.07
IUPAC Name5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(NCc1cn2ccccc2n1)Nc1cscc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C18H14N6O5S/c25-14-13(17(27)28)22-15(23-16(14)26)10-7-30-8-11(10)21-18(29)19-5-9-6-24-4-2-1-3-12(24)20-9/h1-4,6-8,25H,5H2,(H,27,28)(H2,19,21,29)(H,22,23,26)
InChIKeyYNOADFBGVGEBLE-UHFFFAOYSA-N
XLogP1.87
TPSA161.71 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971617
5-hydroxy-6-oxo-2-[4-(1-thiophen-2-ylethylcarbamoylamino)thiophen-3-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434683
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189
2-[3-(benzylcarbamoylamino)thiophen-2-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434428
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 75358110
5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434442
3-(1,3-dioxoisoindol-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide
CID 8917053
2-[3-[(2-chlorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434290
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 75415294
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
methyl 2-[4-[(2-chlorophenyl)sulfonylcarbamoylamino]thiophen-3-yl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 135434757
1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 60664512

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434666) is 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(NCc1cn2ccccc2n1)Nc1cscc1-c1nc(C(=O)O)c(O)c(=O)[nH]1.
What is the InChIKey of 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is YNOADFBGVGEBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O5S/c25-14-13(17(27)28)22-15(23-16(14)26)10-7-30-8-11(10)21-18(29)19-5-9-6-24-4-2-1-3-12(24)20-9/h1-4,6-8,25H,5H2,(H,27,28)(H2,19,21,29)(H,22,23,26).
What are the key properties of 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 426.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).