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

C18H22N6O4S — CID 137474685

IUPAC1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C18H22N6O4S/c1-26-6-5-24-11-12(9-20-24)16(25)22-18-21-14-15(29-18)13(10-19-17(14)27-2)23-3-7-28-8-4-23/h9-11H,3-8H2,1-2H3,(H,21,22,25)
InChIKeyFYWAHNQAQWOTDC-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.63
Rot. Bonds7

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

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide (PubChem CID 137474685) has the molecular formula C18H22N6O4S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
PubChem CID137474685
Molecular FormulaC18H22N6O4S
Molecular Weight418.48 g/mol
Exact Mass418.14
IUPAC Name1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C18H22N6O4S/c1-26-6-5-24-11-12(9-20-24)16(25)22-18-21-14-15(29-18)13(10-19-17(14)27-2)23-3-7-28-8-4-23/h9-11H,3-8H2,1-2H3,(H,21,22,25)
InChIKeyFYWAHNQAQWOTDC-UHFFFAOYSA-N
XLogP1.63
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
CID 146653113
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 137462557
1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide
CID 167215801
1-[1-[(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)amino]ethenyl]-4-methylpiperidin-4-ol
CID 167215482
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462568
2-(methoxymethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 11553490
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-methyl-2-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 11525354
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 164738799
N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 142524382

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide (CID 137474685) is 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide is COCCn1cc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide?
The InChIKey is FYWAHNQAQWOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4S/c1-26-6-5-24-11-12(9-20-24)16(25)22-18-21-14-15(29-18)13(10-19-17(14)27-2)23-3-7-28-8-4-23/h9-11H,3-8H2,1-2H3,(H,21,22,25).
What are the key properties of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide?
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137474685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).