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

C23H21Cl2N5O2 — CID 177378331

IUPAC4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C23H21Cl2N5O2/c1-14(22-18(24)12-26-13-19(22)25)32-16-3-4-20-17(10-16)23(29-28-20)15-2-5-21(27-11-15)30-6-8-31-9-7-30/h2-5,10-14H,6-9H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyJYFBYNCDWSFSQZ-CQSZACIVSA-N
MW470.36 g/mol
LogP5.30
Rot. Bonds5

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

4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 177378331) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID177378331
Molecular FormulaC23H21Cl2N5O2
Molecular Weight470.36 g/mol
Exact Mass469.11
IUPAC Name4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C23H21Cl2N5O2/c1-14(22-18(24)12-26-13-19(22)25)32-16-3-4-20-17(10-16)23(29-28-20)15-2-5-21(27-11-15)30-6-8-31-9-7-30/h2-5,10-14H,6-9H2,1H3,(H,28,29)/t14-/m1/s1
InChIKeyJYFBYNCDWSFSQZ-CQSZACIVSA-N
XLogP5.30
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 177378331) is 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(N4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is JYFBYNCDWSFSQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-14(22-18(24)12-26-13-19(22)25)32-16-3-4-20-17(10-16)23(29-28-20)15-2-5-21(27-11-15)30-6-8-31-9-7-30/h2-5,10-14H,6-9H2,1H3,(H,28,29)/t14-/m1/s1.
What are the key properties of 4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 470.36 g/mol, XLogP of 5.30, 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]-2-pyridinyl]morpholine is sourced from PubChem (CID 177378331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).