8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide

C23H20F2N6O2 — CID 166806627

IUPAC8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2cccnc2c(N2CCOc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
InChIInChI=1S/C23H20F2N6O2/c1-26-23(32)17-8-13-4-3-5-27-20(13)22(29-17)31-6-7-33-19-10-15(14-11-28-30(2)12-14)16(21(24)25)9-18(19)31/h3-5,8-12,21H,6-7H2,1-2H3,(H,26,32)
InChIKeyNPTWVCVWCXNIAN-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.86
Rot. Bonds4

About 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide

8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide (PubChem CID 166806627) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide
PubChem CID166806627
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC Name8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide
SMILESCNC(=O)c1cc2cccnc2c(N2CCOc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1
InChIInChI=1S/C23H20F2N6O2/c1-26-23(32)17-8-13-4-3-5-27-20(13)22(29-17)31-6-7-33-19-10-15(14-11-28-30(2)12-14)16(21(24)25)9-18(19)31/h3-5,8-12,21H,6-7H2,1-2H3,(H,26,32)
InChIKeyNPTWVCVWCXNIAN-UHFFFAOYSA-N
XLogP3.86
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-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 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide (CID 166806627) is 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide is CNC(=O)c1cc2cccnc2c(N2CCOc3cc(-c4cnn(C)c4)c(C(F)F)cc32)n1.
What is the InChIKey of 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide?
The InChIKey is NPTWVCVWCXNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-26-23(32)17-8-13-4-3-5-27-20(13)22(29-17)31-6-7-33-19-10-15(14-11-28-30(2)12-14)16(21(24)25)9-18(19)31/h3-5,8-12,21H,6-7H2,1-2H3,(H,26,32).
What are the key properties of 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide?
8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-methyl-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 166806627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).