7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

C20H16BrF6N5O2 — CID 156830882

IUPAC7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCO[C@@H](CN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1)C(F)(F)F
InChIInChI=1S/C20H16BrF6N5O2/c1-34-15(20(25,26)27)9-32(8-13-3-2-12(7-29-13)19(22,23)24)18(33)11-4-10-5-14(21)16(28)31-17(10)30-6-11/h2-7,15H,8-9H2,1H3,(H2,28,30,31)/t15-/m0/s1
InChIKeyKUPWZGXIWIERPO-HNNXBMFYSA-N
MW552.27 g/mol
LogP4.61
Rot. Bonds6

About 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156830882) has the molecular formula C20H16BrF6N5O2 and a molecular weight of 552.27 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID156830882
Molecular FormulaC20H16BrF6N5O2
Molecular Weight552.27 g/mol
Exact Mass551.04
IUPAC Name7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCO[C@@H](CN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1)C(F)(F)F
InChIInChI=1S/C20H16BrF6N5O2/c1-34-15(20(25,26)27)9-32(8-13-3-2-12(7-29-13)19(22,23)24)18(33)11-4-10-5-14(21)16(28)31-17(10)30-6-11/h2-7,15H,8-9H2,1H3,(H2,28,30,31)/t15-/m0/s1
InChIKeyKUPWZGXIWIERPO-HNNXBMFYSA-N
XLogP4.61
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 156830882) is 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is CO[C@@H](CN(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1)C(F)(F)F.
What is the InChIKey of 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is KUPWZGXIWIERPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H16BrF6N5O2/c1-34-15(20(25,26)27)9-32(8-13-3-2-12(7-29-13)19(22,23)24)18(33)11-4-10-5-14(21)16(28)31-17(10)30-6-11/h2-7,15H,8-9H2,1H3,(H2,28,30,31)/t15-/m0/s1.
What are the key properties of 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 552.27 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156830882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).