methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C20H21N5O4 — CID 110205742

IUPACmethyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(NC(=O)CN3CCCC3)c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H21N5O4/c1-29-20(28)16-11-25(10-15-18(16)22-23-19(15)27)14-6-4-5-13(9-14)21-17(26)12-24-7-2-3-8-24/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,21,26)(H,23,27)
InChIKeyRRNPZDNHNVFOTE-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.49
Rot. Bonds5

About methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 110205742) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID110205742
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Namemethyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2cccc(NC(=O)CN3CCCC3)c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H21N5O4/c1-29-20(28)16-11-25(10-15-18(16)22-23-19(15)27)14-6-4-5-13(9-14)21-17(26)12-24-7-2-3-8-24/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,21,26)(H,23,27)
InChIKeyRRNPZDNHNVFOTE-UHFFFAOYSA-N
XLogP1.49
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 5-(4-acetamidophenyl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110204995
2-[[3-(7-methoxycarbonyl-3-oxo-2H-pyrazolo[4,3-c]pyridin-5-yl)benzoyl]amino]acetic acid
CID 110204797
methyl 5-[4-fluoro-3-(methylcarbamoyl)phenyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 110205394
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121240626
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 60851422
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
methyl 5-(methylamino)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 125432383
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 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 110205742) is methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2cccc(NC(=O)CN3CCCC3)c2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is RRNPZDNHNVFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-29-20(28)16-11-25(10-15-18(16)22-23-19(15)27)14-6-4-5-13(9-14)21-17(26)12-24-7-2-3-8-24/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,21,26)(H,23,27).
What are the key properties of methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 110205742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).