4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C27H22N4O4S — CID 58101451

IUPAC4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OC[C@H](O)CO)cc(-c2ccccc2)n1
InChIInChI=1S/C27H22N4O4S/c32-15-18(33)16-35-19-13-23(17-7-2-1-3-8-17)29-24(14-19)25(34)30-21-10-5-4-9-20(21)26-31-22-11-6-12-28-27(22)36-26/h1-14,18,32-33H,15-16H2,(H,30,34)/t18-/m1/s1
InChIKeyVAKMOHAUDAQTPY-GOSISDBHSA-N
MW498.56 g/mol
LogP4.40
Rot. Bonds8

About 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide

4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58101451) has the molecular formula C27H22N4O4S and a molecular weight of 498.56 g/mol. Its IUPAC name is 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58101451
Molecular FormulaC27H22N4O4S
Molecular Weight498.56 g/mol
Exact Mass498.14
IUPAC Name4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OC[C@H](O)CO)cc(-c2ccccc2)n1
InChIInChI=1S/C27H22N4O4S/c32-15-18(33)16-35-19-13-23(17-7-2-1-3-8-17)29-24(14-19)25(34)30-21-10-5-4-9-20(21)26-31-22-11-6-12-28-27(22)36-26/h1-14,18,32-33H,15-16H2,(H,30,34)/t18-/m1/s1
InChIKeyVAKMOHAUDAQTPY-GOSISDBHSA-N
XLogP4.40
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58101451) is 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OC[C@H](O)CO)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is VAKMOHAUDAQTPY-GOSISDBHSA-N. The full InChI is InChI=1S/C27H22N4O4S/c32-15-18(33)16-35-19-13-23(17-7-2-1-3-8-17)29-24(14-19)25(34)30-21-10-5-4-9-20(21)26-31-22-11-6-12-28-27(22)36-26/h1-14,18,32-33H,15-16H2,(H,30,34)/t18-/m1/s1.
What are the key properties of 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2,3-dihydroxypropoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58101451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).