[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

C23H27N5O4 — CID 55338714

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCNC(=O)NC(=O)C(OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1ccccc1
InChIInChI=1S/C23H27N5O4/c1-13(2)18-11-16(17-12-25-28(14(3)4)20(17)26-18)22(30)32-19(15-9-7-6-8-10-15)21(29)27-23(31)24-5/h6-14,19H,1-5H3,(H2,24,27,29,31)
InChIKeyDWGLHKMPVZYDQR-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.49
Rot. Bonds6

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55338714) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55338714
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCNC(=O)NC(=O)C(OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1ccccc1
InChIInChI=1S/C23H27N5O4/c1-13(2)18-11-16(17-12-25-28(14(3)4)20(17)26-18)22(30)32-19(15-9-7-6-8-10-15)21(29)27-23(31)24-5/h6-14,19H,1-5H3,(H2,24,27,29,31)
InChIKeyDWGLHKMPVZYDQR-UHFFFAOYSA-N
XLogP3.49
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406873
(2-methoxy-2-oxo-1-phenylethyl) 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42897722
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907404
[1-(4-chloroanilino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 46796995
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8571267
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8571188
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 46797080
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 55338575
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 55338714) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is CNC(=O)NC(=O)C(OC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is DWGLHKMPVZYDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-13(2)18-11-16(17-12-25-28(14(3)4)20(17)26-18)22(30)32-19(15-9-7-6-8-10-15)21(29)27-23(31)24-5/h6-14,19H,1-5H3,(H2,24,27,29,31).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55338714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).