4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C22H21N5O2 — CID 118657116

IUPAC4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCOc1cnccc1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C22H21N5O2/c1-28-20-14-23-6-5-17(20)15-2-3-19-18(12-15)22(26-25-19)16-4-7-24-21(13-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,26)
InChIKeyZIOSCUUKYFNQOL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.53
Rot. Bonds4

About 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 118657116) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID118657116
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCOc1cnccc1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C22H21N5O2/c1-28-20-14-23-6-5-17(20)15-2-3-19-18(12-15)22(26-25-19)16-4-7-24-21(13-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,26)
InChIKeyZIOSCUUKYFNQOL-UHFFFAOYSA-N
XLogP3.53
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[5-(3-methoxy-4-pyridinyl)-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

Related Compounds

CID 10172943
CID 10172943
CID 11314340
CID 11314340
CID 16733025
CID 16733025
CID 44243146
CID 44243146
CID 78319901
CID 78319901
CID 90400979
CID 90400979
CID 10126464
CID 10126464
CID 11567059
CID 11567059
CID 16731499
CID 16731499
CID 16731501
CID 16731501
CID 16731505
CID 16731505
CID 16731507
CID 16731507

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 118657116) is 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is COc1cnccc1-c1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is ZIOSCUUKYFNQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-28-20-14-23-6-5-17(20)15-2-3-19-18(12-15)22(26-25-19)16-4-7-24-21(13-16)27-8-10-29-11-9-27/h2-7,12-14H,8-11H2,1H3,(H,25,26).
What are the key properties of 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 387.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3-methoxy-4-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118657116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).