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

C30H27N5O3S — CID 42624204

IUPAC4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C30H27N5O3S/c36-28(33-24-10-5-4-9-23(24)29-34-25-11-6-12-31-30(25)39-29)27-20-22(38-18-15-35-13-16-37-17-14-35)19-26(32-27)21-7-2-1-3-8-21/h1-12,19-20H,13-18H2,(H,33,36)
InChIKeyIVDFKAMNVUVXLO-UHFFFAOYSA-N
MW537.65 g/mol
LogP5.38
Rot. Bonds8

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

4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 42624204) has the molecular formula C30H27N5O3S and a molecular weight of 537.65 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID42624204
Molecular FormulaC30H27N5O3S
Molecular Weight537.65 g/mol
Exact Mass537.18
IUPAC Name4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C30H27N5O3S/c36-28(33-24-10-5-4-9-23(24)29-34-25-11-6-12-31-30(25)39-29)27-20-22(38-18-15-35-13-16-37-17-14-35)19-26(32-27)21-7-2-1-3-8-21/h1-12,19-20H,13-18H2,(H,33,36)
InChIKeyIVDFKAMNVUVXLO-UHFFFAOYSA-N
XLogP5.38
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.65
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 42624204) is 4-(2-morpholin-4-ylethoxy)-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-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(OCCN2CCOCC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is IVDFKAMNVUVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3S/c36-28(33-24-10-5-4-9-23(24)29-34-25-11-6-12-31-30(25)39-29)27-20-22(38-18-15-35-13-16-37-17-14-35)19-26(32-27)21-7-2-1-3-8-21/h1-12,19-20H,13-18H2,(H,33,36).
What are the key properties of 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 537.65 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethoxy)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42624204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).