3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one

C21H24N4O — CID 118740376

IUPAC3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCCC(Cc2cccnc2)C1
InChIInChI=1S/C21H24N4O/c26-21(9-12-25-20-8-2-1-7-19(20)15-23-25)24-11-4-6-18(16-24)13-17-5-3-10-22-14-17/h1-3,5,7-8,10,14-15,18H,4,6,9,11-13,16H2
InChIKeyQPDQPKTWFJCMIQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.30
Rot. Bonds5

About 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one

3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 118740376) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID118740376
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCCC(Cc2cccnc2)C1
InChIInChI=1S/C21H24N4O/c26-21(9-12-25-20-8-2-1-7-19(20)15-23-25)24-11-4-6-18(16-24)13-17-5-3-10-22-14-17/h1-3,5,7-8,10,14-15,18H,4,6,9,11-13,16H2
InChIKeyQPDQPKTWFJCMIQ-UHFFFAOYSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one (CID 118740376) is 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCn1ncc2ccccc21)N1CCCC(Cc2cccnc2)C1.
What is the InChIKey of 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is QPDQPKTWFJCMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(9-12-25-20-8-2-1-7-19(20)15-23-25)24-11-4-6-18(16-24)13-17-5-3-10-22-14-17/h1-3,5,7-8,10,14-15,18H,4,6,9,11-13,16H2.
What are the key properties of 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118740376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).