3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C25H24FN5O — CID 42291969

IUPAC3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccc3ccccc3n2)CC1)c1cccc(F)c1
InChIInChI=1S/C25H24FN5O/c26-20-6-3-5-19(16-20)25(32)29-24-10-13-27-31(24)22-11-14-30(15-12-22)17-21-9-8-18-4-1-2-7-23(18)28-21/h1-10,13,16,22H,11-12,14-15,17H2,(H,29,32)
InChIKeyLDMSZTRPEZHCRN-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.66
Rot. Bonds5

About 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42291969) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42291969
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccc3ccccc3n2)CC1)c1cccc(F)c1
InChIInChI=1S/C25H24FN5O/c26-20-6-3-5-19(16-20)25(32)29-24-10-13-27-31(24)22-11-14-30(15-12-22)17-21-9-8-18-4-1-2-7-23(18)28-21/h1-10,13,16,22H,11-12,14-15,17H2,(H,29,32)
InChIKeyLDMSZTRPEZHCRN-UHFFFAOYSA-N
XLogP4.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42291969) is 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2ccc3ccccc3n2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is LDMSZTRPEZHCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-20-6-3-5-19(16-20)25(32)29-24-10-13-27-31(24)22-11-14-30(15-12-22)17-21-9-8-18-4-1-2-7-23(18)28-21/h1-10,13,16,22H,11-12,14-15,17H2,(H,29,32).
What are the key properties of 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42291969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).