7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide

C23H20BrF2N7O — CID 156830659

IUPAC7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide
SMILESCC[C@H](c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H20BrF2N7O/c1-2-18(22-28-6-3-7-29-22)33(12-16-5-4-13(10-30-16)19(25)26)23(34)15-8-14-9-17(24)20(27)32-21(14)31-11-15/h3-11,18-19H,2,12H2,1H3,(H2,27,31,32)/t18-/m1/s1
InChIKeyPQTRZRRCPVCXSN-GOSISDBHSA-N
MW528.36 g/mol
LogP4.89
Rot. Bonds7

About 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156830659) has the molecular formula C23H20BrF2N7O and a molecular weight of 528.36 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide
PubChem CID156830659
Molecular FormulaC23H20BrF2N7O
Molecular Weight528.36 g/mol
Exact Mass527.09
IUPAC Name7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide
SMILESCC[C@H](c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H20BrF2N7O/c1-2-18(22-28-6-3-7-29-22)33(12-16-5-4-13(10-30-16)19(25)26)23(34)15-8-14-9-17(24)20(27)32-21(14)31-11-15/h3-11,18-19H,2,12H2,1H3,(H2,27,31,32)/t18-/m1/s1
InChIKeyPQTRZRRCPVCXSN-GOSISDBHSA-N
XLogP4.89
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-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-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide (CID 156830659) is 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide is CC[C@H](c1ncccn1)N(Cc1ccc(C(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1.
What is the InChIKey of 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is PQTRZRRCPVCXSN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H20BrF2N7O/c1-2-18(22-28-6-3-7-29-22)33(12-16-5-4-13(10-30-16)19(25)26)23(34)15-8-14-9-17(24)20(27)32-21(14)31-11-15/h3-11,18-19H,2,12H2,1H3,(H2,27,31,32)/t18-/m1/s1.
What are the key properties of 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide?
7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 528.36 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-bromo-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylpropyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156830659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).