5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C32H33N5O3 — CID 166727900

IUPAC5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C1CCCCO1
InChIInChI=1S/C32H33N5O3/c33-21-22-7-9-26-23(18-22)4-3-5-29(26)40-25-8-10-28-27(20-25)32(35-37(28)31-6-1-2-15-39-31)24-11-12-34-30(19-24)36-13-16-38-17-14-36/h7-12,18-20,29,31H,1-6,13-17H2
InChIKeyWWTSNRNWPZJAJG-UHFFFAOYSA-N
MW535.65 g/mol
LogP5.96
Rot. Bonds5

About 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 166727900) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID166727900
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C1CCCCO1
InChIInChI=1S/C32H33N5O3/c33-21-22-7-9-26-23(18-22)4-3-5-29(26)40-25-8-10-28-27(20-25)32(35-37(28)31-6-1-2-15-39-31)24-11-12-34-30(19-24)36-13-16-38-17-14-36/h7-12,18-20,29,31H,1-6,13-17H2
InChIKeyWWTSNRNWPZJAJG-UHFFFAOYSA-N
XLogP5.96
TPSA85.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile 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

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
4-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 78322146
5-[(3-Cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole
CID 86766337
US10144734, Example 756
CID 134434975
US10144734, Example 449
CID 134435379
US10112942, Example 8
CID 134436794
(5S)-5-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166727647
US10144734, Example 480
CID 134434437
US10144734, Example 10
CID 134434583
US10144734, Example 27
CID 134434601
US10144734, Example 327
CID 134434719
US10144734, Example 399
CID 134434758

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 166727900) is 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCCC2Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C1CCCCO1.
What is the InChIKey of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is WWTSNRNWPZJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c33-21-22-7-9-26-23(18-22)4-3-5-29(26)40-25-8-10-28-27(20-25)32(35-37(28)31-6-1-2-15-39-31)24-11-12-34-30(19-24)36-13-16-38-17-14-36/h7-12,18-20,29,31H,1-6,13-17H2.
What are the key properties of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 535.65 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 166727900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).