4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine

C24H23Cl2N5O2 — CID 171408943

IUPAC4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine
SMILESCc1cc(-c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cnc1N1CCOCC1
InChIInChI=1S/C24H23Cl2N5O2/c1-14-9-16(11-28-24(14)31-5-7-32-8-6-31)23-18-10-17(3-4-21(18)29-30-23)33-15(2)22-19(25)12-27-13-20(22)26/h3-4,9-13,15H,5-8H2,1-2H3,(H,29,30)/t15-/m1/s1
InChIKeyZTPZFCISZOWQEC-OAHLLOKOSA-N
MW484.39 g/mol
LogP5.61
Rot. Bonds5

About 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine

4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine (PubChem CID 171408943) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine
PubChem CID171408943
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine
SMILESCc1cc(-c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cnc1N1CCOCC1
InChIInChI=1S/C24H23Cl2N5O2/c1-14-9-16(11-28-24(14)31-5-7-32-8-6-31)23-18-10-17(3-4-21(18)29-30-23)33-15(2)22-19(25)12-27-13-20(22)26/h3-4,9-13,15H,5-8H2,1-2H3,(H,29,30)/t15-/m1/s1
InChIKeyZTPZFCISZOWQEC-OAHLLOKOSA-N
XLogP5.61
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine (CID 171408943) is 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine is Cc1cc(-c2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cnc1N1CCOCC1.
What is the InChIKey of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine?
The InChIKey is ZTPZFCISZOWQEC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-14-9-16(11-28-24(14)31-5-7-32-8-6-31)23-18-10-17(3-4-21(18)29-30-23)33-15(2)22-19(25)12-27-13-20(22)26/h3-4,9-13,15H,5-8H2,1-2H3,(H,29,30)/t15-/m1/s1.
What are the key properties of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine?
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine has a molecular weight of 484.39 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-methyl-2-pyridinyl]morpholine is sourced from PubChem (CID 171408943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).