1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone

C26H28FN7O2 — CID 170324566

IUPAC1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone
SMILESCc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CC(F)C5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H28FN7O2/c1-16-22(12-29-25-24(16)28-7-9-36-25)33-8-6-18-11-30-26(32-21(18)15-33)31-20-4-2-17(3-5-20)10-23(35)34-13-19(27)14-34/h2-5,11-12,19,28H,6-10,13-15H2,1H3,(H,30,31,32)
InChIKeyCJWNZWNLWRBANT-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone

1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone (PubChem CID 170324566) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone
PubChem CID170324566
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone
SMILESCc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CC(F)C5)cc4)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H28FN7O2/c1-16-22(12-29-25-24(16)28-7-9-36-25)33-8-6-18-11-30-26(32-21(18)15-33)31-20-4-2-17(3-5-20)10-23(35)34-13-19(27)14-34/h2-5,11-12,19,28H,6-10,13-15H2,1H3,(H,30,31,32)
InChIKeyCJWNZWNLWRBANT-UHFFFAOYSA-N
XLogP3.01
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone with MolForge

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Related Compounds

US20240025922, Example 84
CID 170324461
US20240025922, Example 145
CID 170324490
US20240025922, Example 113
CID 170324608
US20240025922, Example 185
CID 170324629
US20240025922, Example 55
CID 170324717
US20240025922, Example 187
CID 170324894
2-(Dimethylamino)-1-[4-[6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 139390020
1-[4-[6-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 139390056
1-[6-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 139390177
1-[4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 163290721
2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N,N-dimethylacetamide
CID 163290728
1-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylcyclopentane-1-carboxamide
CID 163290758

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone (CID 170324566) is 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone is Cc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CC(F)C5)cc4)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone?
The InChIKey is CJWNZWNLWRBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-16-22(12-29-25-24(16)28-7-9-36-25)33-8-6-18-11-30-26(32-21(18)15-33)31-20-4-2-17(3-5-20)10-23(35)34-13-19(27)14-34/h2-5,11-12,19,28H,6-10,13-15H2,1H3,(H,30,31,32).
What are the key properties of 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone?
1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone has a molecular weight of 489.56 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-2-[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]phenyl]ethanone is sourced from PubChem (CID 170324566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).