2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide

C23H24FN7O2 — CID 170324767

IUPAC2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cc1F
InChIInChI=1S/C23H24FN7O2/c1-13-19(11-27-22-20(13)26-6-8-33-22)31-7-5-14-10-28-23(30-18(14)12-31)29-15-3-4-16(17(24)9-15)21(32)25-2/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,32)(H,28,29,30)
InChIKeyUQNKDXNRZCAPBT-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.79
Rot. Bonds4

About 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide

2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 170324767) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide
PubChem CID170324767
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cc1F
InChIInChI=1S/C23H24FN7O2/c1-13-19(11-27-22-20(13)26-6-8-33-22)31-7-5-14-10-28-23(30-18(14)12-31)29-15-3-4-16(17(24)9-15)21(32)25-2/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,32)(H,28,29,30)
InChIKeyUQNKDXNRZCAPBT-UHFFFAOYSA-N
XLogP2.79
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide (CID 170324767) is 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide?
The InChIKey is UQNKDXNRZCAPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-13-19(11-27-22-20(13)26-6-8-33-22)31-7-5-14-10-28-23(30-18(14)12-31)29-15-3-4-16(17(24)9-15)21(32)25-2/h3-4,9-11,26H,5-8,12H2,1-2H3,(H,25,32)(H,28,29,30).
What are the key properties of 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide?
2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 449.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 170324767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).