tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate

C19H18N4O2 — CID 156699470

IUPACtert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(C#N)c(-c3ccccc3)nn2c1
InChIInChI=1S/C19H18N4O2/c1-19(2,3)25-18(24)21-14-9-10-16-15(11-20)17(22-23(16)12-14)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,21,24)
InChIKeyGMXRZDNKDJYEBS-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.22
Rot. Bonds2

About tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate

tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate (PubChem CID 156699470) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate
PubChem CID156699470
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Nametert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(C#N)c(-c3ccccc3)nn2c1
InChIInChI=1S/C19H18N4O2/c1-19(2,3)25-18(24)21-14-9-10-16-15(11-20)17(22-23(16)12-14)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,21,24)
InChIKeyGMXRZDNKDJYEBS-UHFFFAOYSA-N
XLogP4.22
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-diphenylpyrazole-4-carboxylic acid
CID 15288287
tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate
CID 58746070
tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate
CID 59424943
tert-butyl N-(3-tert-butyl-5-cyanophenyl)carbamate
CID 58902321
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
tert-butyl N-[3-(2-methyltriazol-4-yl)phenyl]carbamate
CID 166844908
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
tert-butyl N-[2-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 156699490
tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
CID 171512305
tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
CID 11179384

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate (CID 156699470) is tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc2c(C#N)c(-c3ccccc3)nn2c1.
What is the InChIKey of tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate?
The InChIKey is GMXRZDNKDJYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-19(2,3)25-18(24)21-14-9-10-16-15(11-20)17(22-23(16)12-14)13-7-5-4-6-8-13/h4-10,12H,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate?
tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate has a molecular weight of 334.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyano-2-phenylpyrazolo[1,5-a]pyridin-6-yl)carbamate is sourced from PubChem (CID 156699470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).