ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

C22H24N6O5 — CID 122508442

IUPACethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2[nH]nc(C(N)=O)c2C1c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1
InChIInChI=1S/C22H24N6O5/c1-3-33-21(31)28-10-6-14-16(17(19(23)29)26-25-14)18(28)15-12-13(5-9-24-15)4-7-22(32)8-11-27(2)20(22)30/h5,9,12,18,32H,3,6,8,10-11H2,1-2H3,(H2,23,29)(H,25,26)/t18?,22-/m0/s1
InChIKeyGODMZDJGDOTHKX-YSYXNDDBSA-N
MW452.47 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 122508442) has the molecular formula C22H24N6O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID122508442
Molecular FormulaC22H24N6O5
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Nameethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2[nH]nc(C(N)=O)c2C1c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1
InChIInChI=1S/C22H24N6O5/c1-3-33-21(31)28-10-6-14-16(17(19(23)29)26-25-14)18(28)15-12-13(5-9-24-15)4-7-22(32)8-11-27(2)20(22)30/h5,9,12,18,32H,3,6,8,10-11H2,1-2H3,(H2,23,29)(H,25,26)/t18?,22-/m0/s1
InChIKeyGODMZDJGDOTHKX-YSYXNDDBSA-N
XLogP-0.05
TPSA154.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 122508442) is ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2[nH]nc(C(N)=O)c2C1c1cc(C#C[C@]2(O)CCN(C)C2=O)ccn1.
What is the InChIKey of ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is GODMZDJGDOTHKX-YSYXNDDBSA-N. The full InChI is InChI=1S/C22H24N6O5/c1-3-33-21(31)28-10-6-14-16(17(19(23)29)26-25-14)18(28)15-12-13(5-9-24-15)4-7-22(32)8-11-27(2)20(22)30/h5,9,12,18,32H,3,6,8,10-11H2,1-2H3,(H2,23,29)(H,25,26)/t18?,22-/m0/s1.
What are the key properties of ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 452.47 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoyl-4-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 122508442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).