2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

C23H26N4O3S — CID 10252593

IUPAC2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCCN1CCCC1
InChIInChI=1S/C23H26N4O3S/c1-15(2)20-18(23(29)30-12-11-27-9-3-4-10-27)13-17(21(28)26-20)19-14-31-22(25-19)16-5-7-24-8-6-16/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,26,28)
InChIKeySVZINFYUFRYAEN-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.94
Rot. Bonds7

About 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (PubChem CID 10252593) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
PubChem CID10252593
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
SMILESCC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCCN1CCCC1
InChIInChI=1S/C23H26N4O3S/c1-15(2)20-18(23(29)30-12-11-27-9-3-4-10-27)13-17(21(28)26-20)19-14-31-22(25-19)16-5-7-24-8-6-16/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,26,28)
InChIKeySVZINFYUFRYAEN-UHFFFAOYSA-N
XLogP3.94
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (CID 10252593) is 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
The InChIKey is SVZINFYUFRYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15(2)20-18(23(29)30-12-11-27-9-3-4-10-27)13-17(21(28)26-20)19-14-31-22(25-19)16-5-7-24-8-6-16/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,26,28).
What are the key properties of 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?
2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10252593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).