1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine

C25H21F2N3 — CID 58524849

IUPAC1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccnc(C(F)F)c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C25H21F2N3/c26-24(27)23-20-15-19(16-5-2-1-3-6-16)22(30-21(20)11-14-29-23)17-7-9-18(10-8-17)25(28)12-4-13-25/h1-3,5-11,14-15,24H,4,12-13,28H2
InChIKeyDPABQIUYYJTTTC-UHFFFAOYSA-N
MW401.46 g/mol
LogP6.24
Rot. Bonds4

About 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine

1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 58524849) has the molecular formula C25H21F2N3 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
PubChem CID58524849
Molecular FormulaC25H21F2N3
Molecular Weight401.46 g/mol
Exact Mass401.17
IUPAC Name1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccnc(C(F)F)c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C25H21F2N3/c26-24(27)23-20-15-19(16-5-2-1-3-6-16)22(30-21(20)11-14-29-23)17-7-9-18(10-8-17)25(28)12-4-13-25/h1-3,5-11,14-15,24H,4,12-13,28H2
InChIKeyDPABQIUYYJTTTC-UHFFFAOYSA-N
XLogP6.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
CID 163851685
6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine
CID 90773105
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
CID 174663749
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516
2-[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl]propan-2-ol
CID 90858156
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
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-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 163955466
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine (CID 58524849) is 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4ccnc(C(F)F)c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is DPABQIUYYJTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3/c26-24(27)23-20-15-19(16-5-2-1-3-6-16)22(30-21(20)11-14-29-23)17-7-9-18(10-8-17)25(28)12-4-13-25/h1-3,5-11,14-15,24H,4,12-13,28H2.
What are the key properties of 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 401.46 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 58524849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).