3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole

C19H22N4O3S — CID 90400858

IUPAC3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CC(S(C)(=O)=O)C4)c3)c2c1
InChIInChI=1S/C19H22N4O3S/c1-12(2)26-14-4-5-17-16(9-14)19(22-21-17)13-6-7-20-18(8-13)23-10-15(11-23)27(3,24)25/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)
InChIKeyDJQDYTUIGPSZDI-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.65
Rot. Bonds5

About 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole

3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole (PubChem CID 90400858) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Name3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
PubChem CID90400858
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CC(S(C)(=O)=O)C4)c3)c2c1
InChIInChI=1S/C19H22N4O3S/c1-12(2)26-14-4-5-17-16(9-14)19(22-21-17)13-6-7-20-18(8-13)23-10-15(11-23)27(3,24)25/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)
InChIKeyDJQDYTUIGPSZDI-UHFFFAOYSA-N
XLogP2.65
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole 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
N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329493
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Dabogratinib
CID 170647464
4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
CID 78321839
4-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 78322146
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 78323983
4-(4-(5-Methoxy-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472082
3-(2-(4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
CID 90400705
4-(4-(5-Isopropoxy-1H-indazol-3-yl)pyridin-2-yl)-1-methylpiperazin-2-one
CID 90400735
5-Isopropoxy-3-(2-(4-(methylsulfonyl)piperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400868
3-[2-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 137658381

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The IUPAC name of 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole (CID 90400858) is 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole.
What is the SMILES notation for 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The canonical SMILES for 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CC(S(C)(=O)=O)C4)c3)c2c1.
What is the InChIKey of 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The InChIKey is DJQDYTUIGPSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(2)26-14-4-5-17-16(9-14)19(22-21-17)13-6-7-20-18(8-13)23-10-15(11-23)27(3,24)25/h4-9,12,15H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole has a molecular weight of 386.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 90400858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).