methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate

C19H17N5O3S — CID 127045234

IUPACmethyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc21
InChIInChI=1S/C19H17N5O3S/c1-3-8-24-15(25)7-5-12-16(22-23-17(12)24)14-10-21-18(28-14)11-4-6-13(20-9-11)19(26)27-2/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
InChIKeyONPITXFCVXGSDS-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.11
Rot. Bonds5

About methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate

methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate (PubChem CID 127045234) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
PubChem CID127045234
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Namemethyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc21
InChIInChI=1S/C19H17N5O3S/c1-3-8-24-15(25)7-5-12-16(22-23-17(12)24)14-10-21-18(28-14)11-4-6-13(20-9-11)19(26)27-2/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
InChIKeyONPITXFCVXGSDS-UHFFFAOYSA-N
XLogP3.11
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

5-(2-Phenyl-4-piperidin-1-yl-thiazol-5-yl)-2H-pyrazole-3-carboxylic Acid Ethyl Ester
CID 10156751
ethyl 5-(4-morpholin-4-yl-2-phenyl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate
CID 10134622
ethyl 5-[4-(methoxymethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 46889133
methyl 5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate
CID 127038453
5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 127041403
3-[2-[6-(hydroxymethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043447
N,N-dimethyl-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045235
N-[2-(diethylamino)ethyl]-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045389
N-(2-morpholin-4-ylethyl)-5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127045390
methyl 2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 127045545
N,N-dimethyl-2-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 127045546
ethyl 5-[4-(4-methylpiperidin-1-yl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate
CID 46889132

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate (CID 127045234) is methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate is CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)[nH]nc21.
What is the InChIKey of methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
The InChIKey is ONPITXFCVXGSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-3-8-24-15(25)7-5-12-16(22-23-17(12)24)14-10-21-18(28-14)11-4-6-13(20-9-11)19(26)27-2/h4-7,9-10H,3,8H2,1-2H3,(H,22,23).
What are the key properties of methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate?
methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate has a molecular weight of 395.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(6-oxo-7-propyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 127045234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).