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

C19H19N5O3 — CID 121239776

IUPACmethyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C(c2nc3ccccc3[nH]2)C(C)C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H19N5O3/c1-10(2)16(17-20-13-6-4-5-7-14(13)21-17)24-8-11-15(22-23-18(11)25)12(9-24)19(26)27-3/h4-10,16H,1-3H3,(H,20,21)(H,23,25)
InChIKeyRADOJUSAYUVIOG-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.58
Rot. Bonds4

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

methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121239776) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121239776
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Namemethyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C(c2nc3ccccc3[nH]2)C(C)C)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C19H19N5O3/c1-10(2)16(17-20-13-6-4-5-7-14(13)21-17)24-8-11-15(22-23-18(11)25)12(9-24)19(26)27-3/h4-10,16H,1-3H3,(H,20,21)(H,23,25)
InChIKeyRADOJUSAYUVIOG-UHFFFAOYSA-N
XLogP2.58
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 5-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125123562
3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)-3-phenylpropanoic acid
CID 128962890
methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125433537
methyl 3-oxo-5-[2-(2-propan-2-ylbenzimidazol-1-yl)ethyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121239616
(3S)-3-[3-(difluoromethoxy)phenyl]-3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)propanoic acid
CID 125431639
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-[(2S)-2-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125124130
methyl 5-[2-(1H-indol-3-yl)-2-phenylethyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240827
methyl 5-[(4-hydroxybenzoyl)amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432274
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9115115
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-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240785

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121239776) is methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C(c2nc3ccccc3[nH]2)C(C)C)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is RADOJUSAYUVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-10(2)16(17-20-13-6-4-5-7-14(13)21-17)24-8-11-15(22-23-18(11)25)12(9-24)19(26)27-3/h4-10,16H,1-3H3,(H,20,21)(H,23,25).
What are the key properties of methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121239776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).