3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine

C19H19FN4O — CID 11566258

IUPAC3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1OC1CCCCc2ccc(F)cc21
InChIInChI=1S/C19H19FN4O/c20-15-6-5-12-3-1-2-4-17(16(12)8-15)25-18-7-13(9-22-19(18)21)14-10-23-24-11-14/h5-11,17H,1-4H2,(H2,21,22)(H,23,24)
InChIKeyIOLKFKGEXBZRKU-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.04
Rot. Bonds3

About 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine

3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 11566258) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID11566258
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cn[nH]c2)cc1OC1CCCCc2ccc(F)cc21
InChIInChI=1S/C19H19FN4O/c20-15-6-5-12-3-1-2-4-17(16(12)8-15)25-18-7-13(9-22-19(18)21)14-10-23-24-11-14/h5-11,17H,1-4H2,(H2,21,22)(H,23,24)
InChIKeyIOLKFKGEXBZRKU-UHFFFAOYSA-N
XLogP4.04
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine (CID 11566258) is 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cn[nH]c2)cc1OC1CCCCc2ccc(F)cc21.
What is the InChIKey of 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is IOLKFKGEXBZRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-6-5-12-3-1-2-4-17(16(12)8-15)25-18-7-13(9-22-19(18)21)14-10-23-24-11-14/h5-11,17H,1-4H2,(H2,21,22)(H,23,24).
What are the key properties of 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine?
3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 338.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)oxy]-5-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 11566258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).