1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

C22H18N4O — CID 118663810

IUPAC1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C5CC5)n4)c3c2)n1
InChIInChI=1S/C22H18N4O/c1-14(27)18-4-2-5-20(24-18)16-10-11-17-13-23-26(21(17)12-16)22-7-3-6-19(25-22)15-8-9-15/h2-7,10-13,15H,8-9H2,1H3
InChIKeyPPNQJUXDEMGESI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.56
Rot. Bonds4

About 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118663810) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118663810
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C5CC5)n4)c3c2)n1
InChIInChI=1S/C22H18N4O/c1-14(27)18-4-2-5-20(24-18)16-10-11-17-13-23-26(21(17)12-16)22-7-3-6-19(25-22)15-8-9-15/h2-7,10-13,15H,8-9H2,1H3
InChIKeyPPNQJUXDEMGESI-UHFFFAOYSA-N
XLogP4.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (CID 118663810) is 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C5CC5)n4)c3c2)n1.
What is the InChIKey of 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is PPNQJUXDEMGESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14(27)18-4-2-5-20(24-18)16-10-11-17-13-23-26(21(17)12-16)22-7-3-6-19(25-22)15-8-9-15/h2-7,10-13,15H,8-9H2,1H3.
What are the key properties of 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-cyclopropyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118663810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).