3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide

C25H22FN7O3S — CID 135334404

IUPAC3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCOCC4)nc3nc2-c2ccc(F)nc2)ccn1
InChIInChI=1S/C25H22FN7O3S/c1-14-10-15(4-5-28-14)24-33(18(13-36-24)22(27)34)17-11-19-23(30-21(17)16-2-3-20(26)29-12-16)31-25(37-19)32-6-8-35-9-7-32/h2-5,10-13,24H,6-9H2,1H3,(H2,27,34)
InChIKeyISBUIBPXRDWRKH-UHFFFAOYSA-N
MW519.56 g/mol
LogP3.29
Rot. Bonds5

About 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide

3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (PubChem CID 135334404) has the molecular formula C25H22FN7O3S and a molecular weight of 519.56 g/mol. Its IUPAC name is 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
PubChem CID135334404
Molecular FormulaC25H22FN7O3S
Molecular Weight519.56 g/mol
Exact Mass519.15
IUPAC Name3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide
SMILESCc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCOCC4)nc3nc2-c2ccc(F)nc2)ccn1
InChIInChI=1S/C25H22FN7O3S/c1-14-10-15(4-5-28-14)24-33(18(13-36-24)22(27)34)17-11-19-23(30-21(17)16-2-3-20(26)29-12-16)31-25(37-19)32-6-8-35-9-7-32/h2-5,10-13,24H,6-9H2,1H3,(H2,27,34)
InChIKeyISBUIBPXRDWRKH-UHFFFAOYSA-N
XLogP3.29
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
The IUPAC name of 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide (CID 135334404) is 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide is Cc1cc(C2OC=C(C(N)=O)N2c2cc3sc(N4CCOCC4)nc3nc2-c2ccc(F)nc2)ccn1.
What is the InChIKey of 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
The InChIKey is ISBUIBPXRDWRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O3S/c1-14-10-15(4-5-28-14)24-33(18(13-36-24)22(27)34)17-11-19-23(30-21(17)16-2-3-20(26)29-12-16)31-25(37-19)32-6-8-35-9-7-32/h2-5,10-13,24H,6-9H2,1H3,(H2,27,34).
What are the key properties of 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide?
3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-fluoro-3-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135334404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).