5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile

C24H19Cl2FN6O — CID 171408949

IUPAC5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CCN1c1ncc(-c2n[nH]c3cc(F)c(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cc1C#N
InChIInChI=1S/C24H19Cl2FN6O/c1-12-3-4-33(12)24-14(8-28)5-15(9-30-24)23-16-6-21(19(27)7-20(16)31-32-23)34-13(2)22-17(25)10-29-11-18(22)26/h5-7,9-13H,3-4H2,1-2H3,(H,31,32)/t12-,13-/m1/s1
InChIKeyHNSKYUZRYVTOQO-CHWSQXEVSA-N
MW497.36 g/mol
LogP6.08
Rot. Bonds5

About 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile

5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 171408949) has the molecular formula C24H19Cl2FN6O and a molecular weight of 497.36 g/mol. Its IUPAC name is 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile
PubChem CID171408949
Molecular FormulaC24H19Cl2FN6O
Molecular Weight497.36 g/mol
Exact Mass496.10
IUPAC Name5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CCN1c1ncc(-c2n[nH]c3cc(F)c(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cc1C#N
InChIInChI=1S/C24H19Cl2FN6O/c1-12-3-4-33(12)24-14(8-28)5-15(9-30-24)23-16-6-21(19(27)7-20(16)31-32-23)34-13(2)22-17(25)10-29-11-18(22)26/h5-7,9-13H,3-4H2,1-2H3,(H,31,32)/t12-,13-/m1/s1
InChIKeyHNSKYUZRYVTOQO-CHWSQXEVSA-N
XLogP6.08
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.36
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile (CID 171408949) is 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile is C[C@@H]1CCN1c1ncc(-c2n[nH]c3cc(F)c(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cc1C#N.
What is the InChIKey of 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HNSKYUZRYVTOQO-CHWSQXEVSA-N. The full InChI is InChI=1S/C24H19Cl2FN6O/c1-12-3-4-33(12)24-14(8-28)5-15(9-30-24)23-16-6-21(19(27)7-20(16)31-32-23)34-13(2)22-17(25)10-29-11-18(22)26/h5-7,9-13H,3-4H2,1-2H3,(H,31,32)/t12-,13-/m1/s1.
What are the key properties of 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile?
5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 497.36 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-6-fluoro-1H-indazol-3-yl]-2-[(2R)-2-methylazetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 171408949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).