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

C15H15ClN6O3S — CID 45262532

IUPAC2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride
SMILESCl.NC1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1
InChIInChI=1S/C15H14N6O3S.ClH/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);1H
InChIKeyIFYPZQCLQMTIHD-UHFFFAOYSA-N
MW394.84 g/mol
LogP0.89
Rot. Bonds3

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

2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride (PubChem CID 45262532) has the molecular formula C15H15ClN6O3S and a molecular weight of 394.84 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;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride
PubChem CID45262532
Molecular FormulaC15H15ClN6O3S
Molecular Weight394.84 g/mol
Exact Mass394.06
IUPAC Name2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride
SMILESCl.NC1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1
InChIInChI=1S/C15H14N6O3S.ClH/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);1H
InChIKeyIFYPZQCLQMTIHD-UHFFFAOYSA-N
XLogP0.89
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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;hydrochloride?
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;hydrochloride (CID 45262532) is 2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cl.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;hydrochloride?
The InChIKey is IFYPZQCLQMTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S.ClH/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);1H.
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;hydrochloride?
2-(3-aminopyrrolidin-1-yl)-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride has a molecular weight of 394.84 g/mol, XLogP of 0.89, 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;hydrochloride is sourced from PubChem (CID 45262532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).