3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine

C24H28FN7O — CID 67007795

IUPAC3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESCC(c1ccc(F)cc1)c1c(N2CC(N3CCOCC3)C2)cc(Nc2cnccn2)nc1N
InChIInChI=1S/C24H28FN7O/c1-16(17-2-4-18(25)5-3-17)23-20(32-14-19(15-32)31-8-10-33-11-9-31)12-21(30-24(23)26)29-22-13-27-6-7-28-22/h2-7,12-13,16,19H,8-11,14-15H2,1H3,(H3,26,28,29,30)
InChIKeyFCLHWHIZMFQFQR-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.01
Rot. Bonds6

About 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine

3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 67007795) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID67007795
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC Name3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESCC(c1ccc(F)cc1)c1c(N2CC(N3CCOCC3)C2)cc(Nc2cnccn2)nc1N
InChIInChI=1S/C24H28FN7O/c1-16(17-2-4-18(25)5-3-17)23-20(32-14-19(15-32)31-8-10-33-11-9-31)12-21(30-24(23)26)29-22-13-27-6-7-28-22/h2-7,12-13,16,19H,8-11,14-15H2,1H3,(H3,26,28,29,30)
InChIKeyFCLHWHIZMFQFQR-UHFFFAOYSA-N
XLogP3.01
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine (CID 67007795) is 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine is CC(c1ccc(F)cc1)c1c(N2CC(N3CCOCC3)C2)cc(Nc2cnccn2)nc1N.
What is the InChIKey of 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is FCLHWHIZMFQFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c1-16(17-2-4-18(25)5-3-17)23-20(32-14-19(15-32)31-8-10-33-11-9-31)12-21(30-24(23)26)29-22-13-27-6-7-28-22/h2-7,12-13,16,19H,8-11,14-15H2,1H3,(H3,26,28,29,30).
What are the key properties of 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine?
3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 449.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)ethyl]-4-(3-morpholin-4-ylazetidin-1-yl)-6-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 67007795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).