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

C18H17N5O3 — CID 121238869

IUPACmethyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C(C)c2nc3ccccc3n2C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H17N5O3/c1-10(16-19-13-6-4-5-7-14(13)22(16)2)23-8-11-15(20-21-17(11)24)12(9-23)18(25)26-3/h4-10H,1-3H3,(H,21,24)
InChIKeyFOLCCEVRTHHCTC-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.96
Rot. Bonds3

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

methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121238869) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121238869
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Namemethyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C(C)c2nc3ccccc3n2C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H17N5O3/c1-10(16-19-13-6-4-5-7-14(13)22(16)2)23-8-11-15(20-21-17(11)24)12(9-23)18(25)26-3/h4-10H,1-3H3,(H,21,24)
InChIKeyFOLCCEVRTHHCTC-UHFFFAOYSA-N
XLogP1.96
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239616
methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239776
methyl 5-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240734
3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-phenylpropanoic acid
CID 128962890
methyl 5-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123562
methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121241069
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204325
methyl 3-oxo-5-pyridin-4-yl-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205409
methyl 3-oxo-5-[(1R)-1-[(1S,3R,6S,7S,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 126418993
methyl 5-[2-(benzenesulfonyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240786
3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-thiophen-3-ylpropanoic acid
CID 128963233

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121238869) is methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C(C)c2nc3ccccc3n2C)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is FOLCCEVRTHHCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10(16-19-13-6-4-5-7-14(13)22(16)2)23-8-11-15(20-21-17(11)24)12(9-23)18(25)26-3/h4-10H,1-3H3,(H,21,24).
What are the key properties of methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 351.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121238869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).