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

C32H31N5O3S — CID 58101454

IUPAC4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)C[C@H](C)O1
InChIInChI=1S/C32H31N5O3S/c1-21-19-37(20-22(2)40-21)15-16-39-24-17-28(23-9-4-3-5-10-23)34-29(18-24)30(38)35-26-12-7-6-11-25(26)31-36-27-13-8-14-33-32(27)41-31/h3-14,17-18,21-22H,15-16,19-20H2,1-2H3,(H,35,38)/t21-,22+
InChIKeyXOCNYSZDGSEPRA-SZPZYZBQSA-N
MW565.70 g/mol
LogP6.16
Rot. Bonds8

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

4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58101454) has the molecular formula C32H31N5O3S and a molecular weight of 565.70 g/mol. Its IUPAC name is 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58101454
Molecular FormulaC32H31N5O3S
Molecular Weight565.70 g/mol
Exact Mass565.21
IUPAC Name4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)C[C@H](C)O1
InChIInChI=1S/C32H31N5O3S/c1-21-19-37(20-22(2)40-21)15-16-39-24-17-28(23-9-4-3-5-10-23)34-29(18-24)30(38)35-26-12-7-6-11-25(26)31-36-27-13-8-14-33-32(27)41-31/h3-14,17-18,21-22H,15-16,19-20H2,1-2H3,(H,35,38)/t21-,22+
InChIKeyXOCNYSZDGSEPRA-SZPZYZBQSA-N
XLogP6.16
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58101454) is 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is C[C@@H]1CN(CCOc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)c2)C[C@H](C)O1.
What is the InChIKey of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is XOCNYSZDGSEPRA-SZPZYZBQSA-N. The full InChI is InChI=1S/C32H31N5O3S/c1-21-19-37(20-22(2)40-21)15-16-39-24-17-28(23-9-4-3-5-10-23)34-29(18-24)30(38)35-26-12-7-6-11-25(26)31-36-27-13-8-14-33-32(27)41-31/h3-14,17-18,21-22H,15-16,19-20H2,1-2H3,(H,35,38)/t21-,22+.
What are the key properties of 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 565.70 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58101454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).