2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol

C26H21Cl2FN8O — CID 158365131

IUPAC2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1.Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(CO)n1
InChIInChI=1S/C13H10ClFN4.C13H11ClN4O/c1-19-7-9(12(5-15)18-19)8-4-11-10(16-6-8)2-3-13(14)17-11;1-18-6-9(12(7-19)17-18)8-4-11-10(15-5-8)2-3-13(14)16-11/h2-4,6-7H,5H2,1H3;2-6,19H,7H2,1H3
InChIKeyGTYAZRMMBPVTMY-UHFFFAOYSA-N
MW551.41 g/mol
LogP5.33
Rot. Bonds4

About 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol

2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol (PubChem CID 158365131) has the molecular formula C26H21Cl2FN8O and a molecular weight of 551.41 g/mol. Its IUPAC name is 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
PubChem CID158365131
Molecular FormulaC26H21Cl2FN8O
Molecular Weight551.41 g/mol
Exact Mass550.12
IUPAC Name2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1.Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(CO)n1
InChIInChI=1S/C13H10ClFN4.C13H11ClN4O/c1-19-7-9(12(5-15)18-19)8-4-11-10(16-6-8)2-3-13(14)17-11;1-18-6-9(12(7-19)17-18)8-4-11-10(15-5-8)2-3-13(14)16-11/h2-4,6-7H,5H2,1H3;2-6,19H,7H2,1H3
InChIKeyGTYAZRMMBPVTMY-UHFFFAOYSA-N
XLogP5.33
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol
CID 146662191
[6-[3-(5-Chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]methanol
CID 153609504
2-Chloro-7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[1-(2-methoxyethyl)pyrazol-4-yl]-1,5-naphthyridine
CID 162003529
3-(3-Chloropyrazolo[1,5-a]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760138
[5-Chloro-2-methyl-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrazolo[4,3-b]pyridin-7-yl]methanol
CID 172167691
3-[3-Chloro-6-(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 178130538
3-[3-Chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 178131254
3-[6-[3-(5-Chloro-2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridin-3-yl]propan-1-ol
CID 159978556
3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 178130584
[5-(6-Chloro-3-pyridinyl)-3-(2-methylphenyl)-3,4,9,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,10-tetraen-11-yl]methanol
CID 58563663
2-Chloro-7-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
CID 90287908
[4-(6-Chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
CID 90288841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
The IUPAC name of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol (CID 158365131) is 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1.Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(CO)n1.
What is the InChIKey of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
The InChIKey is GTYAZRMMBPVTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4.C13H11ClN4O/c1-19-7-9(12(5-15)18-19)8-4-11-10(16-6-8)2-3-13(14)17-11;1-18-6-9(12(7-19)17-18)8-4-11-10(15-5-8)2-3-13(14)16-11/h2-4,6-7H,5H2,1H3;2-6,19H,7H2,1H3.
What are the key properties of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol has a molecular weight of 551.41 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine;[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 158365131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).