(3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone

C18H22FN5O — CID 118450573

IUPAC(3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)C3)CC2)c1
InChIInChI=1S/C18H22FN5O/c1-13-8-21-24(10-13)16-2-5-20-9-17(16)22-6-3-14(4-7-22)18(25)23-11-15(19)12-23/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3
InChIKeyVYINXPKZNRFFRK-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.97
Rot. Bonds3

About (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone

(3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone (PubChem CID 118450573) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone
PubChem CID118450573
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)C3)CC2)c1
InChIInChI=1S/C18H22FN5O/c1-13-8-21-24(10-13)16-2-5-20-9-17(16)22-6-3-14(4-7-22)18(25)23-11-15(19)12-23/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3
InChIKeyVYINXPKZNRFFRK-UHFFFAOYSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone (CID 118450573) is (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone is Cc1cnn(-c2ccncc2N2CCC(C(=O)N3CC(F)C3)CC2)c1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is VYINXPKZNRFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-13-8-21-24(10-13)16-2-5-20-9-17(16)22-6-3-14(4-7-22)18(25)23-11-15(19)12-23/h2,5,8-10,14-15H,3-4,6-7,11-12H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone?
(3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 343.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 118450573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).