2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide

C27H28N4O3 — CID 174252687

IUPAC2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NC1CCOCC1
InChIInChI=1S/C27H28N4O3/c1-3-18-14-19(5-7-24(18)27(32)30-21-9-12-33-13-10-21)25-15-23(8-11-28-25)34-22-6-4-20-17-29-31(2)26(20)16-22/h4-8,11,14-17,21H,3,9-10,12-13H2,1-2H3,(H,30,32)
InChIKeyASOIHIZZORCPLD-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.90
Rot. Bonds6

About 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide

2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide (PubChem CID 174252687) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide
PubChem CID174252687
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide
SMILESCCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NC1CCOCC1
InChIInChI=1S/C27H28N4O3/c1-3-18-14-19(5-7-24(18)27(32)30-21-9-12-33-13-10-21)25-15-23(8-11-28-25)34-22-6-4-20-17-29-31(2)26(20)16-22/h4-8,11,14-17,21H,3,9-10,12-13H2,1-2H3,(H,30,32)
InChIKeyASOIHIZZORCPLD-UHFFFAOYSA-N
XLogP4.90
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537648
2-ethyl-N-(5-methyl-5-azaspiro[2.3]hexan-2-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537472
2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174252114
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 171537621
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide
CID 171537632
2-ethyl-N-[(Z)-3-(methylamino)prop-2-enimidoyl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174250704
N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide
CID 171537861
4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide
CID 174279392
2-ethyl-4-[4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537189
2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-(2-oxaspiro[3.3]heptan-6-yl)benzamide
CID 171537594
2-ethyl-N-(1-ethylpyrrolidin-3-yl)-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 174247797
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide (CID 174252687) is 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide is CCc1cc(-c2cc(Oc3ccc4cnn(C)c4c3)ccn2)ccc1C(=O)NC1CCOCC1.
What is the InChIKey of 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide?
The InChIKey is ASOIHIZZORCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-3-18-14-19(5-7-24(18)27(32)30-21-9-12-33-13-10-21)25-15-23(8-11-28-25)34-22-6-4-20-17-29-31(2)26(20)16-22/h4-8,11,14-17,21H,3,9-10,12-13H2,1-2H3,(H,30,32).
What are the key properties of 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide?
2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide has a molecular weight of 456.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 174252687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).