[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H21N5O4 — CID 26059831

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCC(=O)NC(=O)c3cccn3C)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H21N5O4/c1-3-28-21-17(13-24-28)16(12-18(25-21)15-8-5-4-6-9-15)23(31)32-14-20(29)26-22(30)19-10-7-11-27(19)2/h4-13H,3,14H2,1-2H3,(H,26,29,30)
InChIKeyCQDVFLDMIXKIMU-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.57
Rot. Bonds6

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 26059831) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID26059831
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCn1ncc2c(C(=O)OCC(=O)NC(=O)c3cccn3C)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H21N5O4/c1-3-28-21-17(13-24-28)16(12-18(25-21)15-8-5-4-6-9-15)23(31)32-14-20(29)26-22(30)19-10-7-11-27(19)2/h4-13H,3,14H2,1-2H3,(H,26,29,30)
InChIKeyCQDVFLDMIXKIMU-UHFFFAOYSA-N
XLogP2.57
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866853
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495256
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 26059999
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693314
[2-(cyclohexylamino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495669
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495564
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46698273
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43041655
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693363
2-(pyridine-4-carbonylamino)ethyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 47585209
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 26059831) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is CCn1ncc2c(C(=O)OCC(=O)NC(=O)c3cccn3C)cc(-c3ccccc3)nc21.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CQDVFLDMIXKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-3-28-21-17(13-24-28)16(12-18(25-21)15-8-5-4-6-9-15)23(31)32-14-20(29)26-22(30)19-10-7-11-27(19)2/h4-13H,3,14H2,1-2H3,(H,26,29,30).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 431.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 26059831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).