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

C18H21FN6O4S — CID 142524384

IUPACN-(6-fluoro-4-methoxy-7-morpholin-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(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C18H21FN6O4S/c1-27-6-5-25-10-11(9-20-25)16(26)23-18-21-12-14(30-18)13(15(19)22-17(12)28-2)24-3-7-29-8-4-24/h9-10H,3-8H2,1-2H3,(H,21,23,26)
InChIKeyBGXMCSNJINCYAP-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.77
Rot. Bonds7

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

N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide (PubChem CID 142524384) has the molecular formula C18H21FN6O4S and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-7-morpholin-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-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
PubChem CID142524384
Molecular FormulaC18H21FN6O4S
Molecular Weight436.47 g/mol
Exact Mass436.13
IUPAC NameN-(6-fluoro-4-methoxy-7-morpholin-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(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C18H21FN6O4S/c1-27-6-5-25-10-11(9-20-25)16(26)23-18-21-12-14(30-18)13(15(19)22-17(12)28-2)24-3-7-29-8-4-24/h9-10H,3-8H2,1-2H3,(H,21,23,26)
InChIKeyBGXMCSNJINCYAP-UHFFFAOYSA-N
XLogP1.77
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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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)pyrazole-4-carboxamide
CID 137474685
N-(4-methoxy-7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 162675072
1-(2-Methoxy-ethyl)-1H-pyrazole-4-carboxylic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide
CID 11676060
4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
CID 146652473
N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide
CID 146652754
(3S)-3-fluoro-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 146653026
N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 146653031
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1-carboxamide
CID 146653124
N-[4-fluoro-5-[[(2S,4R)-2-methyl-4-(2-methylpyrazolo[3,4-c]pyridin-7-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 154675980
N-[7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738661
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
N-[7-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738818

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methoxy-7-morpholin-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-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide (CID 142524384) is N-(6-fluoro-4-methoxy-7-morpholin-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-morpholin-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-morpholin-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(N4CCOCC4)c3s2)cn1.
What is the InChIKey of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide?
The InChIKey is BGXMCSNJINCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O4S/c1-27-6-5-25-10-11(9-20-25)16(26)23-18-21-12-14(30-18)13(15(19)22-17(12)28-2)24-3-7-29-8-4-24/h9-10H,3-8H2,1-2H3,(H,21,23,26).
What are the key properties of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide?
N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 142524384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).