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

C31H27N7 — CID 44548716

IUPAC1-[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
SMILESNC1(c2ccc(-c3nc4ccc5nnc(-c6cc(C7CC7)[nH]n6)n5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C31H27N7/c32-31(15-4-16-31)22-11-9-21(10-12-22)29-23(19-5-2-1-3-6-19)17-27-24(33-29)13-14-28-36-37-30(38(27)28)26-18-25(34-35-26)20-7-8-20/h1-3,5-6,9-14,17-18,20H,4,7-8,15-16,32H2,(H,34,35)
InChIKeyJPMLBERCUAMWMW-UHFFFAOYSA-N
MW497.61 g/mol
LogP6.22
Rot. Bonds5

About 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

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 (PubChem CID 44548716) has the molecular formula C31H27N7 and a molecular weight of 497.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID44548716
Molecular FormulaC31H27N7
Molecular Weight497.61 g/mol
Exact Mass497.23
IUPAC Name1-[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
SMILESNC1(c2ccc(-c3nc4ccc5nnc(-c6cc(C7CC7)[nH]n6)n5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C31H27N7/c32-31(15-4-16-31)22-11-9-21(10-12-22)29-23(19-5-2-1-3-6-19)17-27-24(33-29)13-14-28-36-37-30(38(27)28)26-18-25(34-35-26)20-7-8-20/h1-3,5-6,9-14,17-18,20H,4,7-8,15-16,32H2,(H,34,35)
InChIKeyJPMLBERCUAMWMW-UHFFFAOYSA-N
XLogP6.22
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.61
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44547298
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
CID 44549015
3-[7-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-1-yl]phenol
CID 44547441
3-amino-1-cyclopropyl-3-[4-[8-phenyl-1-(1,2,4-triazolidin-3-yl)-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]cyclobutan-1-ol
CID 90654084
[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
3-amino-3-[4-[1-(difluoromethyl)-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]-1-methylcyclobutan-1-ol
CID 44547442
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
1-[4-(3-ethyl-11-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-12-yl)phenyl]cyclopropan-1-amine
CID 67349104
1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 24963919
1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 89044335
1-[4-(3,12-diphenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]cyclobutan-1-amine
CID 53261684

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC1(c2ccc(-c3nc4ccc5nnc(-c6cc(C7CC7)[nH]n6)n5c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 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?
The InChIKey is JPMLBERCUAMWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7/c32-31(15-4-16-31)22-11-9-21(10-12-22)29-23(19-5-2-1-3-6-19)17-27-24(33-29)13-14-28-36-37-30(38(27)28)26-18-25(34-35-26)20-7-8-20/h1-3,5-6,9-14,17-18,20H,4,7-8,15-16,32H2,(H,34,35).
What are the key properties of 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?
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 has a molecular weight of 497.61 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 44548716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).