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

C20H21N5O3 — CID 121239616

IUPACmethyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCn2c(C(C)C)nc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H21N5O3/c1-12(2)18-21-15-6-4-5-7-16(15)25(18)9-8-24-10-13-17(22-23-19(13)26)14(11-24)20(27)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)
InChIKeyNUVLZLNQYOJBQQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.64
Rot. Bonds5

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

methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121239616) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121239616
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Namemethyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCn2c(C(C)C)nc3ccccc32)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H21N5O3/c1-12(2)18-21-15-6-4-5-7-16(15)25(18)9-8-24-10-13-17(22-23-19(13)26)14(11-24)20(27)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)
InChIKeyNUVLZLNQYOJBQQ-UHFFFAOYSA-N
XLogP2.64
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 5-[2-(2-benzylbenzimidazol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121241069
methyl 5-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240734
methyl 5-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121238869
methyl 5-[2-(6-fluoroindol-1-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239484
methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124876542
methyl 5-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125124134
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
methyl 3-oxo-5-(1-propan-2-ylindol-4-yl)-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204325
methyl 5-[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123786
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124850734
methyl 5-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239680

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121239616) is methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCn2c(C(C)C)nc3ccccc32)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is NUVLZLNQYOJBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12(2)18-21-15-6-4-5-7-16(15)25(18)9-8-24-10-13-17(22-23-19(13)26)14(11-24)20(27)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,26).
What are the key properties of methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121239616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).