3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole

C16H17N5O — CID 165138004

IUPAC3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
SMILESCCOc1ccc2[nH]nc(-c3cc(N4CCC4)ncn3)c2c1
InChIInChI=1S/C16H17N5O/c1-2-22-11-4-5-13-12(8-11)16(20-19-13)14-9-15(18-10-17-14)21-6-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyBOCTVYNODJALFE-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.63
Rot. Bonds4

About 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole

3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole (PubChem CID 165138004) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole.

Molecular Properties

Compound Name3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
PubChem CID165138004
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
SMILESCCOc1ccc2[nH]nc(-c3cc(N4CCC4)ncn3)c2c1
InChIInChI=1S/C16H17N5O/c1-2-22-11-4-5-13-12(8-11)16(20-19-13)14-9-15(18-10-17-14)21-6-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyBOCTVYNODJALFE-UHFFFAOYSA-N
XLogP2.63
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 90398510
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
5-(1-methylcyclopropyl)oxy-3-[6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 165137321
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 90400944
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 90398386
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
CID 90398051
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899

Frequently Asked Questions

What is the IUPAC name of 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole?
The IUPAC name of 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole (CID 165138004) is 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole.
What is the SMILES notation for 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole?
The canonical SMILES for 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole is CCOc1ccc2[nH]nc(-c3cc(N4CCC4)ncn3)c2c1.
What is the InChIKey of 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole?
The InChIKey is BOCTVYNODJALFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-22-11-4-5-13-12(8-11)16(20-19-13)14-9-15(18-10-17-14)21-6-3-7-21/h4-5,8-10H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole?
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole has a molecular weight of 295.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole is sourced from PubChem (CID 165138004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).