[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid

C26H21N5O3 — CID 67094107

IUPAC[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-c3nc4ccc5n[nH]c(=O)n5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H21N5O3/c32-24-30-29-22-12-11-20-21(31(22)24)15-19(16-5-2-1-3-6-16)23(27-20)17-7-9-18(10-8-17)26(13-4-14-26)28-25(33)34/h1-3,5-12,15,28H,4,13-14H2,(H,30,32)(H,33,34)
InChIKeyUBYVDFXCMFGBRG-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.55
Rot. Bonds4

About [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid

[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67094107) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67094107
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-c3nc4ccc5n[nH]c(=O)n5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C26H21N5O3/c32-24-30-29-22-12-11-20-21(31(22)24)15-19(16-5-2-1-3-6-16)23(27-20)17-7-9-18(10-8-17)26(13-4-14-26)28-25(33)34/h1-3,5-12,15,28H,4,13-14H2,(H,30,32)(H,33,34)
InChIKeyUBYVDFXCMFGBRG-UHFFFAOYSA-N
XLogP4.55
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]pyridine-2-sulfonamide
CID 67094159
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
CID 44549015
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
[1-[4-(3-bromo-2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 66718791
[1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 90309741
1-[4-[1-(5-cyclopropyl-1H-pyrazol-3-yl)-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]cyclobutan-1-amine
CID 44548716
[1-[4-[8-(4-methylthiophen-2-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]cyclobutyl]carbamic acid
CID 68786347
[1-[4-[1-(2,2-difluoroethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 88926626
[1-[4-[1-(cyclopropylmethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67256153
1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44547298
[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]cyclopropyl]carbamic acid
CID 121438808
tert-butyl N-[1-[4-[5-hydroxy-6-(hydroxyamino)-3-phenylquinolin-2-yl]phenyl]cyclobutyl]carbamate
CID 137030092

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid (CID 67094107) is [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid is O=C(O)NC1(c2ccc(-c3nc4ccc5n[nH]c(=O)n5c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is UBYVDFXCMFGBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c32-24-30-29-22-12-11-20-21(31(22)24)15-19(16-5-2-1-3-6-16)23(27-20)17-7-9-18(10-8-17)26(13-4-14-26)28-25(33)34/h1-3,5-12,15,28H,4,13-14H2,(H,30,32)(H,33,34).
What are the key properties of [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid?
[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 451.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67094107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).