2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid

C15H14N6O3S — CID 11101322

IUPAC2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESNC1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1
InChIInChI=1S/C15H14N6O3S/c16-8-1-3-20(6-8)14-18-5-9-11(22)10(13(23)24)7-21(12(9)19-14)15-17-2-4-25-15/h2,4-5,7-8H,1,3,6,16H2,(H,23,24)
InChIKeyVXYZWYUAXHVKAM-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.47
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid

2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 11101322) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID11101322
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESNC1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1
InChIInChI=1S/C15H14N6O3S/c16-8-1-3-20(6-8)14-18-5-9-11(22)10(13(23)24)7-21(12(9)19-14)15-17-2-4-25-15/h2,4-5,7-8H,1,3,6,16H2,(H,23,24)
InChIKeyVXYZWYUAXHVKAM-UHFFFAOYSA-N
XLogP0.47
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

7-(3-amino-4-fluoropyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969089
7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434637
7-[3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969070
3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-oxo-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 52919866
7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 25204356
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262555
4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70198540
7-(4-amino-3-methoxy-3-methylpyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969108
8-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 52920218
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carbaldehyde
CID 10067004
7-[3-(dimethylaminooxy)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435116

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 11101322) is 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid is NC1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is VXYZWYUAXHVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c16-8-1-3-20(6-8)14-18-5-9-11(22)10(13(23)24)7-21(12(9)19-14)15-17-2-4-25-15/h2,4-5,7-8H,1,3,6,16H2,(H,23,24).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 358.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 11101322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).