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

C20H21N7O — CID 90400844

IUPAC5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CC(n5cnnc5)C4)c3)c2c1
InChIInChI=1S/C20H21N7O/c1-13(2)28-16-3-4-18-17(8-16)20(25-24-18)14-5-6-21-19(7-14)26-9-15(10-26)27-11-22-23-12-27/h3-8,11-13,15H,9-10H2,1-2H3,(H,24,25)
InChIKeyLWOBAVZYVPUTLM-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.06
Rot. Bonds5

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

5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole (PubChem CID 90400844) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole
PubChem CID90400844
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CC(n5cnnc5)C4)c3)c2c1
InChIInChI=1S/C20H21N7O/c1-13(2)28-16-3-4-18-17(8-16)20(25-24-18)14-5-6-21-19(7-14)26-9-15(10-26)27-11-22-23-12-27/h3-8,11-13,15H,9-10H2,1-2H3,(H,24,25)
InChIKeyLWOBAVZYVPUTLM-UHFFFAOYSA-N
XLogP3.06
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
3-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 90400858
5-propan-2-yloxy-3-[2-(3-pyridin-4-ylpyrrolidin-1-yl)-4-pyridinyl]-1H-indazole
CID 90401021
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
CID 90400815
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
5-methyl-1-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]pyrrolidin-2-one
CID 90400847
4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123977170
4-[5-(5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-yl]morpholine
CID 169236238
3-[4-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 78324047
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 156867094
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
3-[2-(8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]-5-ethoxy-1H-indazole
CID 123204578

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole?
The IUPAC name of 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole (CID 90400844) is 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole?
The canonical SMILES for 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CC(n5cnnc5)C4)c3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole?
The InChIKey is LWOBAVZYVPUTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13(2)28-16-3-4-18-17(8-16)20(25-24-18)14-5-6-21-19(7-14)26-9-15(10-26)27-11-22-23-12-27/h3-8,11-13,15H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole?
5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole has a molecular weight of 375.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[2-[3-(1,2,4-triazol-4-yl)azetidin-1-yl]-4-pyridinyl]-1H-indazole is sourced from PubChem (CID 90400844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).