tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate

C26H26N4O5 — CID 168896333

IUPACtert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCOc1cc(-c2ccccc2O)cn2nc(NC(=O)OC(C)(C)C)c(C(=O)Nc3ccccc3)c12
InChIInChI=1S/C26H26N4O5/c1-26(2,3)35-25(33)28-23-21(24(32)27-17-10-6-5-7-11-17)22-20(34-4)14-16(15-30(22)29-23)18-12-8-9-13-19(18)31/h5-15,31H,1-4H3,(H,27,32)(H,28,29,33)
InChIKeyOXNVKRGUQOMGCP-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.31
Rot. Bonds5

About tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate

tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 168896333) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID168896333
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Nametert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCOc1cc(-c2ccccc2O)cn2nc(NC(=O)OC(C)(C)C)c(C(=O)Nc3ccccc3)c12
InChIInChI=1S/C26H26N4O5/c1-26(2,3)35-25(33)28-23-21(24(32)27-17-10-6-5-7-11-17)22-20(34-4)14-16(15-30(22)29-23)18-12-8-9-13-19(18)31/h5-15,31H,1-4H3,(H,27,32)(H,28,29,33)
InChIKeyOXNVKRGUQOMGCP-UHFFFAOYSA-N
XLogP5.31
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
tert-butyl N-[4-(3-hydroxy-4-methoxyphenyl)phenyl]carbamate
CID 53221133
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
tert-butyl N-[1-methyl-5-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]pyrrol-3-yl]carbamate
CID 139573166
tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate
CID 55654804
tert-butyl N-[4-[(2-phenylbenzoyl)amino]phenyl]carbamate;2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 70132915
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
CID 134297257
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
tert-butyl N-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamate
CID 91422151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate (CID 168896333) is tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate is COc1cc(-c2ccccc2O)cn2nc(NC(=O)OC(C)(C)C)c(C(=O)Nc3ccccc3)c12.
What is the InChIKey of tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is OXNVKRGUQOMGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-26(2,3)35-25(33)28-23-21(24(32)27-17-10-6-5-7-11-17)22-20(34-4)14-16(15-30(22)29-23)18-12-8-9-13-19(18)31/h5-15,31H,1-4H3,(H,27,32)(H,28,29,33).
What are the key properties of tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 474.52 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-hydroxyphenyl)-4-methoxy-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 168896333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).