7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

C24H17BrF5N5O — CID 156831054

IUPAC7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESC[C@H](c1ccc(F)cc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
InChIInChI=1S/C24H17BrF5N5O/c1-12(18-5-3-16(26)8-20(18)27)35(11-17-4-2-15(10-32-17)24(28,29)30)23(36)14-6-13-7-19(25)21(31)34-22(13)33-9-14/h2-10,12H,11H2,1H3,(H2,31,33,34)/t12-/m1/s1
InChIKeyABKNVPNFQIFWEI-GFCCVEGCSA-N
MW566.33 g/mol
LogP6.07
Rot. Bonds5

About 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156831054) has the molecular formula C24H17BrF5N5O and a molecular weight of 566.33 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID156831054
Molecular FormulaC24H17BrF5N5O
Molecular Weight566.33 g/mol
Exact Mass565.05
IUPAC Name7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESC[C@H](c1ccc(F)cc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
InChIInChI=1S/C24H17BrF5N5O/c1-12(18-5-3-16(26)8-20(18)27)35(11-17-4-2-15(10-32-17)24(28,29)30)23(36)14-6-13-7-19(25)21(31)34-22(13)33-9-14/h2-10,12H,11H2,1H3,(H2,31,33,34)/t12-/m1/s1
InChIKeyABKNVPNFQIFWEI-GFCCVEGCSA-N
XLogP6.07
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.33
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 156831054) is 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is C[C@H](c1ccc(F)cc1F)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1.
What is the InChIKey of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ABKNVPNFQIFWEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H17BrF5N5O/c1-12(18-5-3-16(26)8-20(18)27)35(11-17-4-2-15(10-32-17)24(28,29)30)23(36)14-6-13-7-19(25)21(31)34-22(13)33-9-14/h2-10,12H,11H2,1H3,(H2,31,33,34)/t12-/m1/s1.
What are the key properties of 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 566.33 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156831054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).