methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

C22H24N4O4 — CID 130269924

IUPACmethyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C(C)C)c(-c2cccc(C3(O)CCN(C)C3=O)c2)n1
InChIInChI=1S/C22H24N4O4/c1-13(2)26-18-11-17(20(27)30-4)24-19(16(18)12-23-26)14-6-5-7-15(10-14)22(29)8-9-25(3)21(22)28/h5-7,10-13,29H,8-9H2,1-4H3
InChIKeyROGYASQEMTZFFG-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.52
Rot. Bonds4

About methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (PubChem CID 130269924) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
PubChem CID130269924
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Namemethyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C(C)C)c(-c2cccc(C3(O)CCN(C)C3=O)c2)n1
InChIInChI=1S/C22H24N4O4/c1-13(2)26-18-11-17(20(27)30-4)24-19(16(18)12-23-26)14-6-5-7-15(10-14)22(29)8-9-25(3)21(22)28/h5-7,10-13,29H,8-9H2,1-4H3
InChIKeyROGYASQEMTZFFG-UHFFFAOYSA-N
XLogP2.52
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The IUPAC name of methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (CID 130269924) is methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cnn2C(C)C)c(-c2cccc(C3(O)CCN(C)C3=O)c2)n1.
What is the InChIKey of methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The InChIKey is ROGYASQEMTZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13(2)26-18-11-17(20(27)30-4)24-19(16(18)12-23-26)14-6-5-7-15(10-14)22(29)8-9-25(3)21(22)28/h5-7,10-13,29H,8-9H2,1-4H3.
What are the key properties of methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 130269924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).