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

C24H21N5O3 — CID 121241069

IUPACmethyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCn2c(Cc3ccccc3)nc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C24H21N5O3/c1-32-24(31)18-15-28(14-17-22(18)26-27-23(17)30)11-12-29-20-10-6-5-9-19(20)25-21(29)13-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,27,30)
InChIKeyYKSGQNBGOTUVQW-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.10
Rot. Bonds6

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

methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121241069) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121241069
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Namemethyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCn2c(Cc3ccccc3)nc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C24H21N5O3/c1-32-24(31)18-15-28(14-17-22(18)26-27-23(17)30)11-12-29-20-10-6-5-9-19(20)25-21(29)13-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,27,30)
InChIKeyYKSGQNBGOTUVQW-UHFFFAOYSA-N
XLogP3.10
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[2-(2-benzylbenzimidazol-1-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-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240734
methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240626
methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125124134
methyl 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240464
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
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
methyl 5-[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123786
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
CID 110204797
methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121241069) is methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCn2c(Cc3ccccc3)nc3ccccc32)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is YKSGQNBGOTUVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-32-24(31)18-15-28(14-17-22(18)26-27-23(17)30)11-12-29-20-10-6-5-9-19(20)25-21(29)13-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,27,30).
What are the key properties of methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 427.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121241069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).