methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate

C19H17FN6O3S — CID 170635908

IUPACmethyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(CCF)c4)sc23)c1
InChIInChI=1S/C19H17FN6O3S/c1-11-15(5-12(6-21-11)19(28)29-2)24-17(27)14-8-23-26-10-16(30-18(14)26)13-7-22-25(9-13)4-3-20/h5-10H,3-4H2,1-2H3,(H,24,27)
InChIKeyHGFQVBCPTZWAMW-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.97
Rot. Bonds6

About methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate

methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate (PubChem CID 170635908) has the molecular formula C19H17FN6O3S and a molecular weight of 428.45 g/mol. Its IUPAC name is methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate
PubChem CID170635908
Molecular FormulaC19H17FN6O3S
Molecular Weight428.45 g/mol
Exact Mass428.11
IUPAC Namemethyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(CCF)c4)sc23)c1
InChIInChI=1S/C19H17FN6O3S/c1-11-15(5-12(6-21-11)19(28)29-2)24-17(27)14-8-23-26-10-16(30-18(14)26)13-7-22-25(9-13)4-3-20/h5-10H,3-4H2,1-2H3,(H,24,27)
InChIKeyHGFQVBCPTZWAMW-UHFFFAOYSA-N
XLogP2.97
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate (CID 170635908) is methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate is COC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn(CCF)c4)sc23)c1.
What is the InChIKey of methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate?
The InChIKey is HGFQVBCPTZWAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3S/c1-11-15(5-12(6-21-11)19(28)29-2)24-17(27)14-8-23-26-10-16(30-18(14)26)13-7-22-25(9-13)4-3-20/h5-10H,3-4H2,1-2H3,(H,24,27).
What are the key properties of methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate?
methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate has a molecular weight of 428.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[1-(2-fluoroethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 170635908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).