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

C23H22N6O3S — CID 71727539

IUPACN-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2C)n(C)n1
InChIInChI=1S/C23H22N6O3S/c1-12-4-7-15(11-17(12)24-21(31)18-10-13(2)28-29(18)3)32-19-9-8-16-22(26-19)33-23(25-16)27-20(30)14-5-6-14/h4,7-11,14H,5-6H2,1-3H3,(H,24,31)(H,25,27,30)
InChIKeyDQZSOFAJIHPNNJ-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.43
Rot. Bonds6

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

N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 71727539) has the molecular formula C23H22N6O3S and a molecular weight of 462.54 g/mol. Its IUPAC name is N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID71727539
Molecular FormulaC23H22N6O3S
Molecular Weight462.54 g/mol
Exact Mass462.15
IUPAC NameN-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2C)n(C)n1
InChIInChI=1S/C23H22N6O3S/c1-12-4-7-15(11-17(12)24-21(31)18-10-13(2)28-29(18)3)32-19-9-8-16-22(26-19)33-23(25-16)27-20(30)14-5-6-14/h4,7-11,14H,5-6H2,1-3H3,(H,24,31)(H,25,27,30)
InChIKeyDQZSOFAJIHPNNJ-UHFFFAOYSA-N
XLogP4.43
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Tak-593
CID 24767976
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CID 25128181
N-[3-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25128180
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-ethylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505535
N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 57749087
N-benzyl-1-ethyl-N-(5-methoxybenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxamide
CID 25854639
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CID 42111320
N-(4-methylbenzo[d]thiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789343
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-(6-methoxy-1H-indole-2-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide
CID 76146179
N-[4-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 46946255
N-[4-(3,5-difluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,6-trimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetamide
CID 88573447

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 71727539) is N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)ccc2C)n(C)n1.
What is the InChIKey of N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DQZSOFAJIHPNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3S/c1-12-4-7-15(11-17(12)24-21(31)18-10-13(2)28-29(18)3)32-19-9-8-16-22(26-19)33-23(25-16)27-20(30)14-5-6-14/h4,7-11,14H,5-6H2,1-3H3,(H,24,31)(H,25,27,30).
What are the key properties of N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 462.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71727539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).