5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

C17H13N5O3S — CID 135971617

IUPAC5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1cn2ccccc2n1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C17H13N5O3S/c23-14-13(20-15(21-17(14)25)11-4-3-7-26-11)16(24)18-8-10-9-22-6-2-1-5-12(22)19-10/h1-7,9,23H,8H2,(H,18,24)(H,20,21,25)
InChIKeyYCXWBBVOCGSBOK-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.78
Rot. Bonds4

About 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide

5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 135971617) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID135971617
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1cn2ccccc2n1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C17H13N5O3S/c23-14-13(20-15(21-17(14)25)11-4-3-7-26-11)16(24)18-8-10-9-22-6-2-1-5-12(22)19-10/h1-7,9,23H,8H2,(H,18,24)(H,20,21,25)
InChIKeyYCXWBBVOCGSBOK-UHFFFAOYSA-N
XLogP1.78
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601762
5-hydroxy-N-[(2-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601735
N-(furan-2-ylmethyl)-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601905
5-hydroxy-6-oxo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971587
5-hydroxy-N-[(3-methanethioyl-1,2-oxazol-5-yl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 142236196
5-hydroxy-2-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoylamino)thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434666
5-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601719
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 32835792
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane
CID 159739463
N-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016634
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide (CID 135971617) is 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is O=C(NCc1cn2ccccc2n1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is YCXWBBVOCGSBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c23-14-13(20-15(21-17(14)25)11-4-3-7-26-11)16(24)18-8-10-9-22-6-2-1-5-12(22)19-10/h1-7,9,23H,8H2,(H,18,24)(H,20,21,25).
What are the key properties of 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide?
5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135971617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).