[1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C22H24FN5O — CID 58546842

IUPAC[1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc4ccc(F)cc4n3)C2)CC1
InChIInChI=1S/C22H24FN5O/c23-18-3-1-16-2-4-20(26-19(16)11-18)28-12-17(13-28)21-22(25-8-7-24-21)27-9-5-15(14-29)6-10-27/h1-4,7-8,11,15,17,29H,5-6,9-10,12-14H2
InChIKeySQTHAZLNJPERRC-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.98
Rot. Bonds4

About [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58546842) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58546842
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name[1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2C2CN(c3ccc4ccc(F)cc4n3)C2)CC1
InChIInChI=1S/C22H24FN5O/c23-18-3-1-16-2-4-20(26-19(16)11-18)28-12-17(13-28)21-22(25-8-7-24-21)27-9-5-15(14-29)6-10-27/h1-4,7-8,11,15,17,29H,5-6,9-10,12-14H2
InChIKeySQTHAZLNJPERRC-UHFFFAOYSA-N
XLogP2.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
2-[4-(2-Pyrimidinyl)-1-piperazinyl]quinoline
CID 7033665
3-[6-(4-Hydroxy-piperidin-1-yl)-[1,7]naphthyridin-8-yl]-benzonitrile
CID 9973904
1-[8-(3-Fluorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 9999401
3-(7-(3-(Trifluoromethyl)pyridin-2-yl)-4-(6-(trifluoromethyl)pyridin-3-ylamino)quinazolin-2-yl)propan-1-ol
CID 10323420
[1-[3-(1-Quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547742
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholine
CID 58547786
2-[3-[3-[4-(Methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547789
[1-[3-[(3S)-1-quinolin-2-ylpyrrolidin-3-yl]oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547819
1-(3-((1-(Quinolin-2-yl)azetidin-3-yl)oxy)pyrazin-2-yl)piperidin-4-ol
CID 58547845
[1-[3-(1-Quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547863

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 58546842) is [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2C2CN(c3ccc4ccc(F)cc4n3)C2)CC1.
What is the InChIKey of [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is SQTHAZLNJPERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-18-3-1-16-2-4-20(26-19(16)11-18)28-12-17(13-28)21-22(25-8-7-24-21)27-9-5-15(14-29)6-10-27/h1-4,7-8,11,15,17,29H,5-6,9-10,12-14H2.
What are the key properties of [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 393.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(7-fluoroquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58546842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).