3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide

C37H33N5O2 — CID 159464775

IUPAC3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(CC(=O)N[C@H](C)c3ccccc3)nc(C(N)=O)c12
InChIInChI=1S/C37H33N5O2/c1-25(27-15-7-3-8-16-27)39-33(43)24-31-23-32-34(35(40-31)36(38)44)26(2)41-42(32)37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-23,25H,24H2,1-2H3,(H2,38,44)(H,39,43)/t25-/m1/s1
InChIKeyXUGOIMIPRRBDAW-RUZDIDTESA-N
MW579.70 g/mol
LogP6.10
Rot. Bonds9

About 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide

3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide (PubChem CID 159464775) has the molecular formula C37H33N5O2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide
PubChem CID159464775
Molecular FormulaC37H33N5O2
Molecular Weight579.70 g/mol
Exact Mass579.26
IUPAC Name3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(CC(=O)N[C@H](C)c3ccccc3)nc(C(N)=O)c12
InChIInChI=1S/C37H33N5O2/c1-25(27-15-7-3-8-16-27)39-33(43)24-31-23-32-34(35(40-31)36(38)44)26(2)41-42(32)37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-23,25H,24H2,1-2H3,(H2,38,44)(H,39,43)/t25-/m1/s1
InChIKeyXUGOIMIPRRBDAW-RUZDIDTESA-N
XLogP6.10
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[3,4-bis(hydroxymethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 118168992
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-(5-amino-2-pyridinyl)-N-[(1S)-1-phenylethyl]acetamide
CID 107338863
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
4-methyl-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154423
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
1-(4-methyl-3-oxo-1-trityl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
CID 118272012
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599157

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide (CID 159464775) is 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide is Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(CC(=O)N[C@H](C)c3ccccc3)nc(C(N)=O)c12.
What is the InChIKey of 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide?
The InChIKey is XUGOIMIPRRBDAW-RUZDIDTESA-N. The full InChI is InChI=1S/C37H33N5O2/c1-25(27-15-7-3-8-16-27)39-33(43)24-31-23-32-34(35(40-31)36(38)44)26(2)41-42(32)37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-23,25H,24H2,1-2H3,(H2,38,44)(H,39,43)/t25-/m1/s1.
What are the key properties of 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide?
3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide has a molecular weight of 579.70 g/mol, XLogP of 6.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-tritylpyrazolo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 159464775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).