2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide

C26H26FN5O — CID 164616994

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESO=C(CC1CCN(Cc2ccc(F)cc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12
InChIInChI=1S/C26H26FN5O/c27-22-6-3-19(4-7-22)17-32-12-9-18(10-13-32)14-25(33)29-26-23-8-5-20(15-24(23)30-31-26)21-2-1-11-28-16-21/h1-8,11,15-16,18H,9-10,12-14,17H2,(H2,29,30,31,33)
InChIKeyWXMOKZNUJCRTEO-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.00
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide (PubChem CID 164616994) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
PubChem CID164616994
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESO=C(CC1CCN(Cc2ccc(F)cc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12
InChIInChI=1S/C26H26FN5O/c27-22-6-3-19(4-7-22)17-32-12-9-18(10-13-32)14-25(33)29-26-23-8-5-20(15-24(23)30-31-26)21-2-1-11-28-16-21/h1-8,11,15-16,18H,9-10,12-14,17H2,(H2,29,30,31,33)
InChIKeyWXMOKZNUJCRTEO-UHFFFAOYSA-N
XLogP5.00
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide (CID 164616994) is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide is O=C(CC1CCN(Cc2ccc(F)cc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The InChIKey is WXMOKZNUJCRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-22-6-3-19(4-7-22)17-32-12-9-18(10-13-32)14-25(33)29-26-23-8-5-20(15-24(23)30-31-26)21-2-1-11-28-16-21/h1-8,11,15-16,18H,9-10,12-14,17H2,(H2,29,30,31,33).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide has a molecular weight of 443.53 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 164616994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).