1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone

C24H22Cl2FN7O2 — CID 174192779

IUPAC1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone
SMILESCC(Oc1ccc2[nH]nc(-c3nc4c([nH]3)CN(C(=O)CN3CC(F)C3)C4)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H22Cl2FN7O2/c1-12(22-16(25)5-28-6-17(22)26)36-14-2-3-18-15(4-14)23(32-31-18)24-29-19-9-34(10-20(19)30-24)21(35)11-33-7-13(27)8-33/h2-6,12-13H,7-11H2,1H3,(H,29,30)(H,31,32)
InChIKeyOZHOMSABNXVUOS-UHFFFAOYSA-N
MW530.39 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone

1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone (PubChem CID 174192779) has the molecular formula C24H22Cl2FN7O2 and a molecular weight of 530.39 g/mol. Its IUPAC name is 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone
PubChem CID174192779
Molecular FormulaC24H22Cl2FN7O2
Molecular Weight530.39 g/mol
Exact Mass529.12
IUPAC Name1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone
SMILESCC(Oc1ccc2[nH]nc(-c3nc4c([nH]3)CN(C(=O)CN3CC(F)C3)C4)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H22Cl2FN7O2/c1-12(22-16(25)5-28-6-17(22)26)36-14-2-3-18-15(4-14)23(32-31-18)24-29-19-9-34(10-20(19)30-24)21(35)11-33-7-13(27)8-33/h2-6,12-13H,7-11H2,1H3,(H,29,30)(H,31,32)
InChIKeyOZHOMSABNXVUOS-UHFFFAOYSA-N
XLogP4.29
TPSA103.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone?
The IUPAC name of 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone (CID 174192779) is 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone?
The canonical SMILES for 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone is CC(Oc1ccc2[nH]nc(-c3nc4c([nH]3)CN(C(=O)CN3CC(F)C3)C4)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone?
The InChIKey is OZHOMSABNXVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN7O2/c1-12(22-16(25)5-28-6-17(22)26)36-14-2-3-18-15(4-14)23(32-31-18)24-29-19-9-34(10-20(19)30-24)21(35)11-33-7-13(27)8-33/h2-6,12-13H,7-11H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone?
1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone has a molecular weight of 530.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 174192779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).