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

C18H15N5O3S — CID 121238968

IUPACmethyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCc2csc(-c3cccnc3)n2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H15N5O3S/c1-26-18(25)14-9-23(8-13-15(14)21-22-16(13)24)6-4-12-10-27-17(20-12)11-3-2-5-19-7-11/h2-3,5,7-10H,4,6H2,1H3,(H,22,24)
InChIKeySNFBNBZGPUXBHM-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.22
Rot. Bonds5

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

methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121238968) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121238968
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Namemethyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCc2csc(-c3cccnc3)n2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H15N5O3S/c1-26-18(25)14-9-23(8-13-15(14)21-22-16(13)24)6-4-12-10-27-17(20-12)11-3-2-5-19-7-11/h2-3,5,7-10H,4,6H2,1H3,(H,22,24)
InChIKeySNFBNBZGPUXBHM-UHFFFAOYSA-N
XLogP2.22
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110424060
methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
(3S)-5-oxo-1-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 95128901
methyl 2-[2-oxo-4-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidin-1-yl]benzoate
CID 108770958
methyl 5-[3-(3-methoxycarbonylanilino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239063
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118779413
methyl 5-[(3R)-3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878415
methyl 5,6-diphenyl-3-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylamino]pyridazine-4-carboxylate
CID 108779929
6-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137256857
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101057

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121238968) is methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCc2csc(-c3cccnc3)n2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is SNFBNBZGPUXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-26-18(25)14-9-23(8-13-15(14)21-22-16(13)24)6-4-12-10-27-17(20-12)11-3-2-5-19-7-11/h2-3,5,7-10H,4,6H2,1H3,(H,22,24).
What are the key properties of methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 381.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121238968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).