N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide

C19H22FN5O4S — CID 164738758

IUPACN-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nc3c(OC)nc(F)c(C4CCOCC4)c3s2)cn1
InChIInChI=1S/C19H22FN5O4S/c1-27-8-5-25-10-12(9-21-25)17(26)24-19-22-14-15(30-19)13(11-3-6-29-7-4-11)16(20)23-18(14)28-2/h9-11H,3-8H2,1-2H3,(H,22,24,26)
InChIKeyUDVRWOWBTCKGLU-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.83
Rot. Bonds7

About N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide

N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide (PubChem CID 164738758) has the molecular formula C19H22FN5O4S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide
PubChem CID164738758
Molecular FormulaC19H22FN5O4S
Molecular Weight435.48 g/mol
Exact Mass435.14
IUPAC NameN-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nc3c(OC)nc(F)c(C4CCOCC4)c3s2)cn1
InChIInChI=1S/C19H22FN5O4S/c1-27-8-5-25-10-12(9-21-25)17(26)24-19-22-14-15(30-19)13(11-3-6-29-7-4-11)16(20)23-18(14)28-2/h9-11H,3-8H2,1-2H3,(H,22,24,26)
InChIKeyUDVRWOWBTCKGLU-UHFFFAOYSA-N
XLogP2.83
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide (CID 164738758) is N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide is COCCn1cc(C(=O)Nc2nc3c(OC)nc(F)c(C4CCOCC4)c3s2)cn1.
What is the InChIKey of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The InChIKey is UDVRWOWBTCKGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4S/c1-27-8-5-25-10-12(9-21-25)17(26)24-19-22-14-15(30-19)13(11-3-6-29-7-4-11)16(20)23-18(14)28-2/h9-11H,3-8H2,1-2H3,(H,22,24,26).
What are the key properties of N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide?
N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-(2-methoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 164738758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).