N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C22H20N6O3S — CID 25128180

IUPACN-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1
InChIInChI=1S/C22H20N6O3S/c1-12-10-17(28(2)27-12)20(30)23-14-4-3-5-15(11-14)31-18-9-8-16-21(25-18)32-22(24-16)26-19(29)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,23,30)(H,24,26,29)
InChIKeyZSWBFDGBEZTJRY-UHFFFAOYSA-N
MW448.51 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 25128180) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID25128180
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1
InChIInChI=1S/C22H20N6O3S/c1-12-10-17(28(2)27-12)20(30)23-14-4-3-5-15(11-14)31-18-9-8-16-21(25-18)32-22(24-16)26-19(29)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,23,30)(H,24,26,29)
InChIKeyZSWBFDGBEZTJRY-UHFFFAOYSA-N
XLogP4.13
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-B]pyridazin-6-Yl}oxy)phenyl]-1,3-Dimethyl-1h-Pyrazole-5-Carboxamide
CID 57505507
N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25128181
N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 71727539
N-(5-methoxy-1,3-benzothiazol-2-yl)-1-methyl-N-[(pyridin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25843672
N-benzyl-1-ethyl-N-(5-methoxybenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxamide
CID 25854639
N-(6-ethoxybenzo[d]thiazol-2-yl)-2-(5-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-1-yl)acetamide
CID 42285719
N-(5-(3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide
CID 76146178
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 57505542
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 57505543
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 57505627
2-chloro-N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 57505669
N-[2-fluoro-5-[[2-(methylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
CID 166467810

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 25128180) is N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1.
What is the InChIKey of N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZSWBFDGBEZTJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-12-10-17(28(2)27-12)20(30)23-14-4-3-5-15(11-14)31-18-9-8-16-21(25-18)32-22(24-16)26-19(29)13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,23,30)(H,24,26,29).
What are the key properties of N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 25128180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).