11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

C18H18FN5O2 — CID 118262827

IUPAC11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESCn1c2c(c3ccc(Nc4ccc(OCCF)cn4)nc31)C(=O)NCC2
InChIInChI=1S/C18H18FN5O2/c1-24-13-6-8-20-18(25)16(13)12-3-5-15(23-17(12)24)22-14-4-2-11(10-21-14)26-9-7-19/h2-5,10H,6-9H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyOMOVGEQQWJUKQV-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.35
Rot. Bonds5

About 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one

11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (PubChem CID 118262827) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.

Molecular Properties

Compound Name11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
PubChem CID118262827
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one
SMILESCn1c2c(c3ccc(Nc4ccc(OCCF)cn4)nc31)C(=O)NCC2
InChIInChI=1S/C18H18FN5O2/c1-24-13-6-8-20-18(25)16(13)12-3-5-15(23-17(12)24)22-14-4-2-11(10-21-14)26-9-7-19/h2-5,10H,6-9H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyOMOVGEQQWJUKQV-UHFFFAOYSA-N
XLogP2.35
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The IUPAC name of 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one (CID 118262827) is 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one.
What is the SMILES notation for 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The canonical SMILES for 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is Cn1c2c(c3ccc(Nc4ccc(OCCF)cn4)nc31)C(=O)NCC2.
What is the InChIKey of 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
The InChIKey is OMOVGEQQWJUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-24-13-6-8-20-18(25)16(13)12-3-5-15(23-17(12)24)22-14-4-2-11(10-21-14)26-9-7-19/h2-5,10H,6-9H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one?
11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one has a molecular weight of 355.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[5-(2-fluoroethoxy)-2-pyridinyl]amino]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-one is sourced from PubChem (CID 118262827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).