(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone

C20H19F2N5O2 — CID 59684378

IUPAC(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nc1
InChIInChI=1S/C20H19F2N5O2/c1-29-15-4-5-16(24-13-15)18-11-17(25-27(18)14-3-2-8-23-12-14)19(28)26-9-6-20(21,22)7-10-26/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyYRBUFYMKFLQJFJ-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.21
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone (PubChem CID 59684378) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone
PubChem CID59684378
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nc1
InChIInChI=1S/C20H19F2N5O2/c1-29-15-4-5-16(24-13-15)18-11-17(25-27(18)14-3-2-8-23-12-14)19(28)26-9-6-20(21,22)7-10-26/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyYRBUFYMKFLQJFJ-UHFFFAOYSA-N
XLogP3.21
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone (CID 59684378) is (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nc1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
The InChIKey is YRBUFYMKFLQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-29-15-4-5-16(24-13-15)18-11-17(25-27(18)14-3-2-8-23-12-14)19(28)26-9-6-20(21,22)7-10-26/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone has a molecular weight of 399.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone is sourced from PubChem (CID 59684378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).