tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate

C24H24N4O3 — CID 140931435

IUPACtert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C24H24N4O3/c1-24(2,3)31-23(30)26-20-6-4-5-16(11-20)14-28-15-19(9-10-22(28)29)17-7-8-18-13-25-27-21(18)12-17/h4-13,15H,14H2,1-3H3,(H,25,27)(H,26,30)
InChIKeyLHUXRKPZNGNPTI-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate

tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate (PubChem CID 140931435) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate
PubChem CID140931435
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Nametert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C24H24N4O3/c1-24(2,3)31-23(30)26-20-6-4-5-16(11-20)14-28-15-19(9-10-22(28)29)17-7-8-18-13-25-27-21(18)12-17/h4-13,15H,14H2,1-3H3,(H,25,27)(H,26,30)
InChIKeyLHUXRKPZNGNPTI-UHFFFAOYSA-N
XLogP4.79
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
1-[[2-(bromomethyl)phenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[[2-(hydroxymethyl)phenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 161240899
1-[[4-(2-aminoethylamino)-3-nitrophenyl]methyl]-5-(1H-indazol-6-yl)pyridin-2-one;hydrochloride
CID 129052017
1-[(2-fluoro-3-nitrophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052059
N-(3-ethylphenyl)-1H-indazole-6-carboxamide
CID 60715268
tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
CID 59206790
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate
CID 162683615
tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
CID 158977134
tert-butyl N-[3-(methylsulfinylmethyl)phenyl]carbamate
CID 169088988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate (CID 140931435) is tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1.
What is the InChIKey of tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate?
The InChIKey is LHUXRKPZNGNPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-24(2,3)31-23(30)26-20-6-4-5-16(11-20)14-28-15-19(9-10-22(28)29)17-7-8-18-13-25-27-21(18)12-17/h4-13,15H,14H2,1-3H3,(H,25,27)(H,26,30).
What are the key properties of tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate?
tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate has a molecular weight of 416.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]carbamate is sourced from PubChem (CID 140931435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).